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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50125380'   
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 (HCV))		BDBM50125380
PNG
(CHEMBL276488 | Pyrazine-2-carboxylic acid [(S)-1-(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C33H52N8O7/c1-6-20(5)27(41-30(45)23(15-19(3)4)39-31(46)25-17-35-13-14-36-25)32(47)40-24(16-21-11-9-8-10-12-21)29(44)38-22(7-2)28(43)33(48)37-18-26(34)42/h13-14,17,19-24,27H,6-12,15-16,18H2,1-5H3,(H2,34,42)(H,37,48)(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t20-,22-,23-,24-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined

Bioorg Med Chem Lett 13: 1111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair