BindingDB logo
myBDB logout

BDBM50103870 2-(3-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-3-carboxy-propionylsulfamoyl)-benzoic acid::CHEMBL80925

SMILES: Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CC(=O)NS(=O)(=O)c1ccccc1C(O)=O)C(O)=O

InChI Key: InChIKey=RZOBPPLHBXPNFB-UHFFFAOYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50103870   
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)
BDBM50103870
PNG
(2-(3-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)...)
Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CC(=O)NS(=O)(=O)c1ccccc1C(O)=O)C(O)=O
Show InChI InChI=1/C29H25N7O9S/c1-36-21-11-15(7-9-18(21)33-24(36)13-23-31-17-8-6-14(26(30)38)10-19(17)32-23)27(39)34-20(29(42)43)12-25(37)35-46(44,45)22-5-3-2-4-16(22)28(40)41/h2-11,20H,12-13H2,1H3,(H2,30,38)(H,31,32)(H,34,39)(H,35,37)(H,40,41)(H,42,43)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+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)


Article DOI: 10.1016/s0960-894x(01)00457-7
BindingDB Entry DOI: 10.7270/Q2N015TQ
More data for this
Ligand-Target Pair