BDBM50150599 2-{(S)-2-[(S)-2-Cyclohexyl-2-(2-2H-tetrazol-5-yl-acetylamino)-acetylamino]-3,3-dimethyl-butyryl}-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-cyclopropylaminooxalyl-butyl)-amide::CHEMBL182854

SMILES: CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc1nnn[nH]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=WTPASGXFZGYHCW-BZYZTYLLSA-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 = 50150599   

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)	BDBM50150599 (2-{(S)-2-[(S)-2-Cyclohexyl-2-(2-2H-tetrazol-5-yl-a...) Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc1nnn[nH]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 Show InChI InChI=1S/C34H53N9O6/c1-5-10-23(28(45)32(48)35-21-15-16-21)36-31(47)27-22-14-9-13-20(22)18-43(27)33(49)29(34(2,3)4)38-30(46)26(19-11-7-6-8-12-19)37-25(44)17-24-39-41-42-40-24/h19-23,26-27,29H,5-18H2,1-4H3,(H,35,48)(H,36,47)(H,37,44)(H,38,46)(H,39,40,41,42)/t20?,22?,23?,26-,27-,29+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibitory potency against HCV NS3 protease				Bioorg Med Chem Lett 14: 4333-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.078 BindingDB Entry DOI: 10.7270/Q2TX3DVP
					More data for this Ligand-Target Pair