BDBM50187931 (5S,8S,10R)-5-cyclohexyl-2-methyl-3,6-dioxo-11,15-dioxa-2,4,7-triaza-tricyclo[14.3.1.1*7,10*]henicosa-1(20),16,18-triene-8-carboxylic acid [1-((S)-dimethylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl)-aminooxalyl)-butyl)-amide::CHEMBL436488

SMILES: CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)N(C)c1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key: InChIKey=BBUQYAXVOBTXSO-GBNLWIAOSA-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 = 50187931   

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)	BDBM50187931 ((5S,8S,10R)-5-cyclohexyl-2-methyl-3,6-dioxo-11,15-...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)N(C)c1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C42H57N7O9/c1-5-14-32(37(51)39(53)43-25-34(50)45-35(40(54)47(2)3)27-15-8-6-9-16-27)44-38(52)33-24-31-26-49(33)41(55)36(28-17-10-7-11-18-28)46-42(56)48(4)29-19-12-20-30(23-29)57-21-13-22-58-31/h6,8-9,12,15-16,19-20,23,28,31-33,35-36H,5,7,10-11,13-14,17-18,21-22,24-26H2,1-4H3,(H,43,53)(H,44,52)(H,45,50)(H,46,56)/t31-,32?,33+,35+,36+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	90	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 to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair