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BDBM50199054 14-cyclohexyl-7,8-dihydro-6H-indole[1,2e][1,5]benzoxazocine-11-carboxylic acid::CHEMBL217259

SMILES: OC(=O)c1ccc2C(C3CCCCC3)=C3C(CCCOc4ccccc34)c2c1

InChI Key: InChIKey=NNDCTQKILRJYQE-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50199054   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199054
PNG
(14-cyclohexyl-7,8-dihydro-6H-indole[1,2e][1,5]benz...)
Show SMILES OC(=O)c1ccc2C(C3CCCCC3)=C3C(CCCOc4ccccc34)c2c1 |c:14|
Show InChI InChI=1S/C25H26O3/c26-25(27)17-12-13-19-21(15-17)18-10-6-14-28-22-11-5-4-9-20(22)24(18)23(19)16-7-2-1-3-8-16/h4-5,9,11-13,15-16,18H,1-3,6-8,10,14H2,(H,26,27)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair