BDBM50174451 (S)-(2-{3-[((11S,14S)-11-Cyclohexyl-9,12-dioxo-2-oxa-10,13-diaza-bicyclo[14.3.1]icosa-1(20),16,18-triene-14-carbonyl)-amino]-2-oxo-hexanoylamino}-acetylamino)-phenyl-acetic acid::CHEMBL197120

SMILES: CCCC(NC(=O)[C@@H]1Cc2cccc(OCCCCCCC(=O)N[C@@H](C3CCCCC3)C(=O)N1)c2)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1

InChI Key: InChIKey=YTYNYIZOPRJABA-AYFFUCQDSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174451   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50174451 ((S)-(2-{3-[((11S,14S)-11-Cyclohexyl-9,12-dioxo-2-o...) Show SMILES CCCC(NC(=O)[C@@H]1Cc2cccc(OCCCCCCC(=O)N[C@@H](C3CCCCC3)C(=O)N1)c2)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 Show InChI InChI=1S/C40H53N5O9/c1-2-14-30(36(48)39(51)41-25-33(47)45-35(40(52)53)28-18-9-6-10-19-28)42-37(49)31-24-26-15-13-20-29(23-26)54-22-12-4-3-11-21-32(46)44-34(38(50)43-31)27-16-7-5-8-17-27/h6,9-10,13,15,18-20,23,27,30-31,34-35H,2-5,7-8,11-12,14,16-17,21-22,24-25H2,1H3,(H,41,51)(H,42,49)(H,43,50)(H,44,46)(H,45,47)(H,52,53)/t30?,31-,34-,35-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity for HCV NS3 protease measured by HCV continuous assay				J Med Chem 48: 6229-35 (2005) Article DOI: 10.1021/jm050323b BindingDB Entry DOI: 10.7270/Q2XW4JC1
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