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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50158834'   
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))		BDBM50158834
PNG
(CHEMBL411714 | Lys-Gly-Ser-Val-Val-Ile-Val-Gly-Arg...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H140N24O19/c1-15-42(12)58(70(114)92-49(32-38(4)5)65(109)93-50(36-100)62(106)86-34-52(102)88-46(26-22-30-83-74(79)80)63(107)91-48(73(117)118)25-19-21-29-77)99-72(116)59(43(13)16-2)97-64(108)47(27-23-31-84-75(81)82)89-53(103)35-87-67(111)55(39(6)7)95-71(115)60(44(14)17-3)98-69(113)57(41(10)11)96-68(112)56(40(8)9)94-66(110)51(37-101)90-54(104)33-85-61(105)45(78)24-18-20-28-76/h38-51,55-60,100-101H,15-37,76-78H2,1-14H3,(H,85,105)(H,86,106)(H,87,111)(H,88,102)(H,89,103)(H,90,104)(H,91,107)(H,92,114)(H,93,109)(H,94,110)(H,95,115)(H,96,112)(H,97,108)(H,98,113)(H,99,116)(H,117,118)(H4,79,80,83)(H4,81,82,84)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibitory concentration against hepatitis C virus NS2/3 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