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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50093020'   
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)		BDBM50093020
PNG
(1-{[1-{2-[2-(4-Carboxy-butyrylamino)-2-cyclohexyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)CCCC(O)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C(O)=O)OCc1cccc2ccccc12
Show InChI InChI=1S/C38H50N4O9/c1-23(2)32(40-35(47)33(25-11-4-3-5-12-25)39-30(43)16-9-17-31(44)45)36(48)42-21-27(20-29(42)34(46)41-38(18-19-38)37(49)50)51-22-26-14-8-13-24-10-6-7-15-28(24)26/h6-8,10,13-15,23,25,27,29,32-33H,3-5,9,11-12,16-22H2,1-2H3,(H,39,43)(H,40,47)(H,41,46)(H,44,45)(H,49,50)/t27-,29+,32+,33+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 900n/an/an/an/an/an/a



Boehringer Ingelheim

Curated by ChEMBL


Assay Description
Inhibitory activity against NS3 protease complexed with NS4A cofactor peptide (NS3-4A pep)

Bioorg Med Chem Lett 10: 2267-70 (2001)


BindingDB Entry DOI: 10.7270/Q2S1831T
More data for this
Ligand-Target Pair