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Record - 1 of 38   [TOP]
Compound IDNVIC0006
Compound Structure
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InhibitorU73122
SMILESCC12CCC3C(C1CCC2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC
PubChem ID 104794
Drug Bank ID\N
ChemSpider ID94596
TargetInhibits PLC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
IC50 (nM)36320.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)464.65
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bonds9
LogP6.17
Topological Polar Surface Area (Å)58.64
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 2 of 38   [TOP]
Compound IDNVIC0009
Compound Structure
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InhibitorBenzamil
SMILESC1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
PubChem ID 108107
Drug Bank ID\N
ChemSpider ID97202
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)65040.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)319.75
H-bond Acceptor7
H-bond Donor5
No. of Rotatable Bonds6
LogP2.35
Topological Polar Surface Area (Å)142.80
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 3 of 38   [TOP]
Compound IDNVIC0010
Compound Structure
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InhibitorRyanodine
SMILESCC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
PubChem ID 11317883
Drug Bank ID\N
ChemSpider ID16736002
TargetStimulates calcium release from the ER via ryanodine receptors.
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
IC50 (nM)65710.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)493.55
H-bond Acceptor10
H-bond Donor7
No. of Rotatable Bonds4
LogP0.16
Topological Polar Surface Area (Å)168.94
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 4 of 38   [TOP]
Compound IDNVIC0014
Compound Structure
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InhibitorA23187
SMILESCC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
PubChem ID 11957499
Drug Bank ID\N
ChemSpider ID10131749
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA)
Cell TypeVero cells
IC50 (nM)70.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)523.63
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bonds7
LogP4.48
Topological Polar Surface Area (Å)126.68
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 5 of 38   [TOP]
Compound IDNVIC0029
Compound Structure
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Inhibitor2-APB(2-Aminoethyl Diphenylborinate)
SMILESB(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN
PubChem ID 1598
Drug Bank ID\N
ChemSpider ID1540
TargetInhibitor of IP3 mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)133310.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)225.10
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bonds5
LogP4.45
Topological Polar Surface Area (Å)35.25
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 6 of 38   [TOP]
Compound IDNVIC0031
Compound Structure
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InhibitorAmiloride
SMILESC1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N
PubChem ID 16231
Drug Bank ID\N
ChemSpider ID15403
TargetInhibitor of sodium channels
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)656470.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)229.63
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bonds2
LogP-1.10
Topological Polar Surface Area (Å)159.29
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 7 of 38   [TOP]
Compound IDNVIC0032
Compound Structure
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InhibitorCA1001[(-)-(r,r)-N,N?-bis[11-(ethoxycarbonyl)undecyl]-n,n?-4,5-tetramethyl-3,6-dioxaoctanediamide]
SMILESCCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
PubChem ID 163688476
Drug Bank ID\N
ChemSpider ID2343275
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
IC50 (nM)348990.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)684.99
H-bond Acceptor10
H-bond Donor0
No. of Rotatable Bonds37
LogP8.92
Topological Polar Surface Area (Å)111.68
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 8 of 38   [TOP]
Compound IDNVIC0035
Compound Structure
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InhibitorPhenytoin
SMILESC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
PubChem ID 1775
Drug Bank ID\N
ChemSpider ID1710
TargetNon-selective inhibitor of sodium, sodium/hydrogen transporter and calcium channels
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)51580.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)252.27
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bonds2
LogP4.71
Topological Polar Surface Area (Å)58.20
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 9 of 38   [TOP]
Compound IDNVIC0037
Compound Structure
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Inhibitor5-N-ethyl isopropyl amiloride
SMILESCCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C
PubChem ID 1795
Drug Bank ID\N
ChemSpider ID1729
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)5960.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)299.76
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bonds5
LogP0.76
Topological Polar Surface Area (Å)136.51
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 10 of 38   [TOP]
Compound IDNVIC0048
Compound Structure
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InhibitorBHQ(2,5-di-(t-butyl)-1,4-hydroquinone)
SMILESCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
PubChem ID 2374
Drug Bank ID\N
ChemSpider ID2283
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
IC50 (nM)12210.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)222.33
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bonds2
LogP4.46
Topological Polar Surface Area (Å)40.46
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 11 of 38   [TOP]
Compound IDNVIC0051
Compound Structure
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InhibitorCaffeine
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C
PubChem ID 2519
Drug Bank ID\N
ChemSpider ID2424
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
IC50 (nM)7562710.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)194.19
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bonds0
LogP-0.60
Topological Polar Surface Area (Å)58.44
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 12 of 38   [TOP]
Compound IDNVIC0052
Compound Structure
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InhibitorVerapamil
SMILESCC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
PubChem ID 2520
Drug Bank ID\N
ChemSpider ID2425
TargetL/T-type Calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)21660.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)454.61
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bonds13
LogP4.71
Topological Polar Surface Area (Å)63.95
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 13 of 38   [TOP]
Compound IDNVIC0056
Compound Structure
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InhibitorPMA(Phorbol 12-myristate 13-acetate)
SMILESCCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C
PubChem ID 27924
Drug Bank ID\N
ChemSpider ID25977
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)372120.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)616.83
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bonds17
LogP6.51
Topological Polar Surface Area (Å)130.36
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 14 of 38   [TOP]
Compound IDNVIC0057
Compound Structure
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InhibitorClotrimazole
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
PubChem ID 2812
Drug Bank ID\N
ChemSpider ID2710
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
IC50 (nM)3470.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)344.84
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bonds4
LogP8.55
Topological Polar Surface Area (Å)17.82
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 15 of 38   [TOP]
Compound IDNVIC0061
Compound Structure
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InhibitorGabapentin
SMILESC1CCC(CC1)(CC(=O)O)CN
PubChem ID 3446
Drug Bank ID\N
ChemSpider ID3328
TargetCalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)538700.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)171.24
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bonds3
LogP1.39
Topological Polar Surface Area (Å)63.32
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 16 of 38   [TOP]
Compound IDNVIC0070
Compound Structure
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InhibitorBradykinin
SMILESC1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
PubChem ID 439201
Drug Bank ID\N
ChemSpider ID388341
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)34070.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)1060.23
H-bond Acceptor26
H-bond Donor14
No. of Rotatable Bonds37
LogP0.10
Topological Polar Surface Area (Å)413.78
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 17 of 38   [TOP]
Compound IDNVIC0072
Compound Structure
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InhibitorMonensin
SMILESCCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C
PubChem ID 441145
Drug Bank ID\N
ChemSpider ID389937
TargetSodium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)12240.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)670.88
H-bond Acceptor11
H-bond Donor4
No. of Rotatable Bonds10
LogP3.36
Topological Polar Surface Area (Å)153.37
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 18 of 38   [TOP]
Compound IDNVIC0079
Compound Structure
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InhibitorOleic Acid
SMILESCCCCCCCCC=CCCCCCCCC(=O)O
PubChem ID 445639
Drug Bank ID\N
ChemSpider ID393217
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)1848200.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)282.47
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bonds15
LogP8.19
Topological Polar Surface Area (Å)37.30
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 19 of 38   [TOP]
Compound IDNVIC0080
Compound Structure
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InhibitorThapsigargin
SMILESCCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O
PubChem ID 446378
Drug Bank ID\N
ChemSpider ID23258517
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
IC50 (nM)50.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)650.76
H-bond Acceptor12
H-bond Donor2
No. of Rotatable Bonds17
LogP5.10
Topological Polar Surface Area (Å)171.96
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 20 of 38   [TOP]
Compound IDNVIC0083
Compound Structure
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InhibitorNifedipine
SMILESCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
PubChem ID 4485
Drug Bank ID\N
ChemSpider ID4330
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)245440.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)346.34
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds6
LogP3.91
Topological Polar Surface Area (Å)107.77
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 21 of 38   [TOP]
Compound IDNVIC0084
Compound Structure
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Inhibitor4-OH-tamoxifen
SMILESCCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
PubChem ID 449459
Drug Bank ID\N
ChemSpider ID4447687
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)7510.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)387.52
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bonds8
LogP8.73
Topological Polar Surface Area (Å)32.70
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 22 of 38   [TOP]
Compound IDNVIC0087
Compound Structure
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Inhibitor7-octyl-indolactam
SMILESCCCCCCCCC1=C2CC(NC(=O)C(N(C3=CC=CC(=C23)N1)C)C(C)C)CO
PubChem ID 45934410
Drug Bank ID\N
ChemSpider ID57263232
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)306820.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)413.61
H-bond Acceptor5
H-bond Donor3
No. of Rotatable Bonds9
LogP5.62
Topological Polar Surface Area (Å)68.36
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 23 of 38   [TOP]
Compound IDNVIC0090
Compound Structure
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InhibitorPhenoxybenzamine
SMILESCC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
PubChem ID 4768
Drug Bank ID\N
ChemSpider ID4604
TargetCalmoudulin inhibitor
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)6860.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)303.83
H-bond Acceptor3
H-bond Donor0
No. of Rotatable Bonds8
LogP6.54
Topological Polar Surface Area (Å)12.47
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 24 of 38   [TOP]
Compound IDNVIC0091
Compound Structure
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InhibitorPraziquantel
SMILESC1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2
PubChem ID 4891
Drug Bank ID\N
ChemSpider ID4722
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)33510.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)312.41
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bonds2
LogP3.65
Topological Polar Surface Area (Å)40.62
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 25 of 38   [TOP]
Compound IDNVIC0093
Compound Structure
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InhibitorPropranolol
SMILESCC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
PubChem ID 4946
Drug Bank ID\N
ChemSpider ID4777
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)3830.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)259.35
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bonds6
LogP4.05
Topological Polar Surface Area (Å)41.49
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 26 of 38   [TOP]
Compound IDNVIC0096
Compound Structure
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InhibitorCyclosporine
SMILESCCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
PubChem ID 5280754
Drug Bank ID\N
ChemSpider ID4447449
TargetSERCA
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)12640.0
EC50 (in nM)0.0
OutcomeRemoval of cytosolic calcium
Molecular Weight (in g/mol)1202.64
H-bond Acceptor23
H-bond Donor5
No. of Rotatable Bonds15
LogP8.40
Topological Polar Surface Area (Å)278.80
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 27 of 38   [TOP]
Compound IDNVIC0097
Compound Structure
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InhibitorCholecalciferol
SMILESCC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
PubChem ID 5280795
Drug Bank ID\N
ChemSpider ID4444353
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
IC50 (nM)55630.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)384.65
H-bond Acceptor1
H-bond Donor1
No. of Rotatable Bonds6
LogP9.89
Topological Polar Surface Area (Å)20.23
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 28 of 38   [TOP]
Compound IDNVIC0099
Compound Structure
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InhibitorRottlerin
SMILESCC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C=CC4=CC=CC=C4)OC(C=C3)(C)C)O)O
PubChem ID 5281847
Drug Bank ID\N
ChemSpider ID4445144
TargetInhibits PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)19820.0
EC50 (in nM)0.0
OutcomeInhibition of viral replication
Molecular Weight (in g/mol)516.55
H-bond Acceptor8
H-bond Donor5
No. of Rotatable Bonds6
LogP5.12
Topological Polar Surface Area (Å)144.52
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 29 of 38   [TOP]
Compound IDNVIC0100
Compound Structure
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Inhibitor25-hydroxy-cholecalciferol
SMILESCC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
PubChem ID 5283731
Drug Bank ID\N
ChemSpider ID4446820
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
IC50 (nM)30860.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)400.65
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bonds6
LogP7.93
Topological Polar Surface Area (Å)40.46
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 30 of 38   [TOP]
Compound IDNVIC0101
Compound Structure
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InhibitorXestospongin C
SMILESC1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1
PubChem ID 5311502
Drug Bank ID\N
ChemSpider ID4470979
TargetInhibitor of IP3 mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
IC50 (nM)7010.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)446.72
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bonds0
LogP7.08
Topological Polar Surface Area (Å)24.94
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 31 of 38   [TOP]
Compound IDNVIC0111
Compound Structure
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InhibitorAmlodipine besylate
SMILESCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
PubChem ID 60496
Drug Bank ID\N
ChemSpider ID54537
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)643530.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)567.05
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds10
LogP3.24
Topological Polar Surface Area (Å)99.88
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 32 of 38   [TOP]
Compound IDNVIC0112
Compound Structure
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InhibitorMibefradil
SMILESCC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F
PubChem ID 60663
Drug Bank ID\N
ChemSpider ID54673
TargetT-type calcium channels antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)6110.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)495.64
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bonds12
LogP6.43
Topological Polar Surface Area (Å)67.45
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 33 of 38   [TOP]
Compound IDNVIC0114
Compound Structure
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InhibitorGliotoxin
SMILESCN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O
PubChem ID 6223
Drug Bank ID\N
ChemSpider ID5988
TargetCalcium modulation
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)740.0
EC50 (in nM)0.0
OutcomeInhibition of NiV infection.
Molecular Weight (in g/mol)326.39
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bonds1
LogP-2.10
Topological Polar Surface Area (Å)131.68
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 34 of 38   [TOP]
Compound IDNVIC0115
Compound Structure
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InhibitorArg-vasopressin
SMILESC1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
PubChem ID 644077
Drug Bank ID\N
ChemSpider ID559126
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)35270.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)1084.24
H-bond Acceptor28
H-bond Donor14
No. of Rotatable Bonds22
LogP-0.40
Topological Polar Surface Area (Å)514.53
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 35 of 38   [TOP]
Compound IDNVIC0116
Compound Structure
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InhibitorLanthanum Chloride
SMILESCl[La](Cl)Cl
PubChem ID 64735
Drug Bank ID\N
ChemSpider ID58275
TargetCalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)1030790.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)245.26
H-bond Acceptor0
H-bond Donor0
No. of Rotatable Bonds0
LogP2.07
Topological Polar Surface Area (Å)0.00
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 36 of 38   [TOP]
Compound IDNVIC0121
Compound Structure
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InhibitorIonomycin
SMILESCC(CCC(=O)O)CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)O
PubChem ID 6912226
Drug Bank ID\N
ChemSpider ID5288579
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)5190.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)709.02
H-bond Acceptor9
H-bond Donor5
No. of Rotatable Bonds22
LogP7.69
Topological Polar Surface Area (Å)153.75
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 37 of 38   [TOP]
Compound IDNVIC0122
Compound Structure
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InhibitorDantrolene
SMILESC1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
PubChem ID 6914273
Drug Bank ID\N
ChemSpider ID5036403
TargetInhibitor of ryanodine receptor mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)12410.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)314.26
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bonds4
LogP2.89
Topological Polar Surface Area (Å)106.02
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 38 of 38   [TOP]
Compound IDNVIC0123
Compound Structure
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InhibitorTetrandine
SMILESCN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
PubChem ID 73078
Drug Bank ID\N
ChemSpider ID65868
TargetL/T-type Calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)654800.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)622.76
H-bond Acceptor8
H-bond Donor0
No. of Rotatable Bonds4
LogP6.09
Topological Polar Surface Area (Å)61.86
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com