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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50158810'   
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))		BDBM50158810
PNG
(Ac-Arg-Gly-Gly-Ser-Val-Val-Ile-Val-Gly-Arg-Ile-Ile...)
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)CNC(=O)[C@H](CCCNC(N)=N)NC(C)=O)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C79H145N27O21/c1-16-43(12)61(73(123)99-51(32-39(4)5)68(118)100-52(37-107)65(115)92-35-56(112)95-48(26-22-30-88-78(83)84)66(116)98-50(76(126)127)24-19-20-28-80)106-75(125)62(44(13)17-2)104-67(117)49(27-23-31-89-79(85)86)96-57(113)36-93-70(120)58(40(6)7)102-74(124)63(45(14)18-3)105-72(122)60(42(10)11)103-71(121)59(41(8)9)101-69(119)53(38-108)97-55(111)34-90-54(110)33-91-64(114)47(94-46(15)109)25-21-29-87-77(81)82/h39-45,47-53,58-63,107-108H,16-38,80H2,1-15H3,(H,90,110)(H,91,114)(H,92,115)(H,93,120)(H,94,109)(H,95,112)(H,96,113)(H,97,111)(H,98,116)(H,99,123)(H,100,118)(H,101,119)(H,102,124)(H,103,121)(H,104,117)(H,105,122)(H,106,125)(H,126,127)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t43-,44-,45-,47-,48-,49-,50-,51-,52-,53-,58-,59-,60-,61-,62-,63-/m0/s1
PDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3.40E+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