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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50370547'   
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)		BDBM50370547
PNG
(CHEMBL1791288)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C67H97N11O17S/c1-6-38(4)56(76-66(94)57(54(42-24-15-9-16-25-42)43-26-17-10-18-27-43)77-59(87)44(29-30-51(80)81)70-62(90)47(34-52(82)83)69-39(5)79)65(93)73-46(33-41-22-13-8-14-23-41)61(89)74-49(36-96)67(95)78-31-19-28-50(78)64(92)72-45(32-40-20-11-7-12-21-40)60(88)71-48(35-53(84)85)63(91)75-55(37(2)3)58(68)86/h9-10,15-18,24-27,37-38,40-41,44-50,54-57,96H,6-8,11-14,19-23,28-36H2,1-5H3,(H2,68,86)(H,69,79)(H,70,90)(H,71,88)(H,72,92)(H,73,93)(H,74,89)(H,75,91)(H,76,94)(H,77,87)(H,80,81)(H,82,83)(H,84,85)/t38-,44+,45?,46+,47+,48+,49+,50-,55+,56+,57+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibitory concentration against hepatitis C virus NS3 protease

J Med Chem 48: 1-20 (2005)


Article DOI: 10.1021/jm0400101
BindingDB Entry DOI: 10.7270/Q2XP75Q1
More data for this
Ligand-Target Pair