BDBM50150604 2-{(S)-3-Methyl-2-[(S)-3-methyl-2-(5-1H-tetrazol-5-yl-pentanoylamino)-butyrylamino]-butyryl}-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid {1-[2-(2-amino-acetylamino)-2-oxo-acetyl]-butyl}-amide::CHEMBL2371771

SMILES: CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)NC(=O)CN

InChI Key: InChIKey=WDSMKEVKGIUMDF-AXRMTBJISA-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 = 50150604   

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)	BDBM50150604 (2-{(S)-3-Methyl-2-[(S)-3-methyl-2-(5-1H-tetrazol-5...) Show SMILES CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)NC(=O)CN Show InChI InChI=1S/C32H52N10O7/c1-6-10-21(28(45)31(48)36-24(44)15-33)34-30(47)27-20-12-9-11-19(20)16-42(27)32(49)26(18(4)5)37-29(46)25(17(2)3)35-23(43)14-8-7-13-22-38-40-41-39-22/h17-21,25-27H,6-16,33H2,1-5H3,(H,34,47)(H,35,43)(H,37,46)(H,36,44,48)(H,38,39,40,41)/t19?,20?,21?,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	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
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