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BDBM50171303 CHEMBL370096::{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}-acetic acid

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)=O

InChI Key: InChIKey=NKFHEJVNMNHHHG-GKCWTWCASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171303   
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)		BDBM50171303
PNG
(CHEMBL370096 | {3-[((9S,12S,15S)-15-tert-Butoxycar...)
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)=O
Show InChI InChI=1S/C39H51N5O10/c1-5-10-28(33(47)37(51)40-22-31(45)46)41-34(48)29-21-24-11-9-14-27(19-24)53-26-17-15-23(16-18-26)20-30(43-38(52)54-39(2,3)4)35(49)44-32(36(50)42-29)25-12-7-6-8-13-25/h9,11,14-19,25,28-30,32H,5-8,10,12-13,20-22H2,1-4H3,(H,40,51)(H,41,48)(H,42,50)(H,43,52)(H,44,49)(H,45,46)/t28-,29-,30-,32-/m0/s1
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Similars
Article
PubMed
 1.20E+4n/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