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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50120312'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Genome polyprotein


(Hepatitis C virus)		BDBM50120312
PNG
(CHEMBL325081 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1cc(C)ccc1C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C45H69BN6O11/c1-23(2)37(50-40(58)30(15-17-35(53)54)48-39(57)29(47)22-36(55)56)42(60)51-38(24(3)4)43(61)52-18-10-11-31(52)41(59)49-34(16-14-27-19-25(5)12-13-26(27)6)46-62-33-21-28-20-32(44(28,7)8)45(33,9)63-46/h12-13,19,23-24,28-34,37-38H,10-11,14-18,20-22,47H2,1-9H3,(H,48,57)(H,49,59)(H,50,58)(H,51,60)(H,53,54)(H,55,56)/t28-,29-,30-,31+,32-,33+,34-,37-,38-,45-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Hepatitis C virus NS3 protease

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair