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BDBM50171304 (S)-(2-{(S)-3-[((9S,12S,15S)-15-tert-Butoxycarbonylamino-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1*3,7*]docosa-1(20),3(22),4,6,17(21),18-hexaene-9-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid::CHEMBL365565

SMILES: CCC[C@H](NC(=O)[C@@H]1Cc2cccc(Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C4CCCCC4)C(=O)N1)cc3)c2)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1

InChI Key: InChIKey=YJJWOCUBKJGURX-HAHDWVKUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171304   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)		BDBM50171304
PNG
((S)-(2-{(S)-3-[((9S,12S,15S)-15-tert-Butoxycarbony...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1Cc2cccc(Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C4CCCCC4)C(=O)N1)cc3)c2)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C47H58N6O11/c1-5-13-34(40(55)44(59)48-27-37(54)52-39(45(60)61)31-17-10-7-11-18-31)49-41(56)35-26-29-14-12-19-33(24-29)63-32-22-20-28(21-23-32)25-36(51-46(62)64-47(2,3)4)42(57)53-38(43(58)50-35)30-15-8-6-9-16-30/h7,10-12,14,17-24,30,34-36,38-39H,5-6,8-9,13,15-16,25-27H2,1-4H3,(H,48,59)(H,49,56)(H,50,58)(H,51,62)(H,52,54)(H,53,57)(H,60,61)/t34-,35-,36-,38-,39-/m0/s1
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Similars
Article
PubMed
 7.80E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit the hydrolysis of chromogenic 4-phenylazophenyl ester from the peptide fragment Ac- DTEDVVP(Nva)-O-4-PAP in a HCV protease continu...

J Med Chem 48: 5088-91 (2005)


Article DOI: 10.1021/jm0489556
BindingDB Entry DOI: 10.7270/Q2DN45T7
More data for this
Ligand-Target Pair