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BDBM50103873 2-(3-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-3-carboxy-propionylsulfamoyl)-benzoic acid::CHEMBL311987

SMILES: Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CC(=O)NS(=O)(=O)c1ccccc1C(O)=O)C(O)=O

InChI Key: InChIKey=LSHLEKMEDLSDPF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50103873   
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 serine protease, NS3/NS4A


(Hepatitis C virus)		BDBM50103873
PNG
(2-(3-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-methyl-3H...)
Show SMILES Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CC(=O)NS(=O)(=O)c1ccccc1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H24N6O8S/c1-34-21-12-15(10-11-19(21)31-24(34)14-23-29-17-7-3-4-8-18(17)30-23)26(36)32-20(28(39)40)13-25(35)33-43(41,42)22-9-5-2-6-16(22)27(37)38/h2-12,20H,13-14H2,1H3,(H,29,30)(H,32,36)(H,33,35)(H,37,38)(H,39,40)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.

Bioorg Med Chem Lett 11: 2355-9 (2001)


BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair