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Record - 1 of 2   [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 - 2 of 2   [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