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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50093013'   
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)		BDBM50093013
PNG
(1-{[(S)-1-((S)-2-{(2S,3S)-2-[(S)-2-((S)-2-Acetylam...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1(CC1)C(O)=O
Show InChI InChI=1S/C30H46N6O12/c1-6-15(4)23(34-25(43)18(13-21(40)41)32-24(42)17(12-20(38)39)31-16(5)37)27(45)33-22(14(2)3)28(46)36-11-7-8-19(36)26(44)35-30(9-10-30)29(47)48/h14-15,17-19,22-23H,6-13H2,1-5H3,(H,31,37)(H,32,42)(H,33,45)(H,34,43)(H,35,44)(H,38,39)(H,40,41)(H,47,48)/t15-,17-,18-,19-,22-,23-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.40E+4n/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