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Record - 1 of 6   [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 - 2 of 6   [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 - 3 of 6   [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 - 4 of 6   [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 - 5 of 6   [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 - 6 of 6   [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