BDBM50174449 (11S,14S)-11-Cyclohexyl-9,12-dioxo-2-oxa-10,13-diaza-bicyclo[14.3.1]icosa-1(20),16,18-triene-14-carboxylic acid [1-((S)-methylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl)-aminooxalyl)-butyl)-amide::CHEMBL436127

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)NC)c1ccccc1

InChI Key: InChIKey=CTANHBUSGKDYST-KPMNLTOXSA-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 = 50174449   

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)	BDBM50174449 ((11S,14S)-11-Cyclohexyl-9,12-dioxo-2-oxa-10,13-dia...) 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)NC)c1ccccc1 Show InChI InChI=1S/C41H56N6O8/c1-3-15-31(37(50)41(54)43-26-34(49)47-35(39(52)42-2)28-17-8-6-9-18-28)44-38(51)32-25-27-16-14-21-30(24-27)55-23-13-5-4-12-22-33(48)46-36(40(53)45-32)29-19-10-7-11-20-29/h6,8-9,14,16-18,21,24,29,31-32,35-36H,3-5,7,10-13,15,19-20,22-23,25-26H2,1-2H3,(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,48)(H,47,49)/t31?,32-,35-,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	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
					More data for this Ligand-Target Pair