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Record - 1 of 2   [TOP]
Compound IDNVIC0049
Compound Structure
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Inhibitor2-APB(2-Aminoethyl Diphenylborinate)
PubChem ID 1598
Drug Bank ID
ChemSpider ID 1540
SMILESB(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN
Molecular Weight (in g/mol)225.098
TargetInhibitor of IP3 mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)133310
EC50 (in nM)
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bond Count5
XLogP4.45
PSA35.25
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0056
Compound Structure
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InhibitorXestospongin C
PubChem ID 5311502
Drug Bank ID
ChemSpider ID 4470979
SMILESC1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1
Molecular Weight (in g/mol)446.72
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
OutcomeInhibition of henipavirus replication
IC50 (in nM)7010
EC50 (in nM)
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bond Count0
XLogP7.08
PSA24.94
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com