BDBM50150595 (S)-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-((S)-1-phenyl-ethylaminooxalyl)-butyl]-amide::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-((S)-1-phenyl-ethylaminooxalyl)-butyl]-amide::CHEMBL360291

SMILES: CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nnn[nH]1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1

InChI Key: InChIKey=WRKKDKVSSULHSU-VMJLQIJZSA-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 = 50150595   

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)	BDBM50150595 ((S)-2-{(S)-3-Methyl-2-[(S)-3-methyl-2-(5-1H-tetraz...) Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nnn[nH]1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C38H57N9O6/c1-7-14-28(34(49)37(52)39-24(6)25-15-9-8-10-16-25)40-36(51)33-27-18-13-17-26(27)21-47(33)38(53)32(23(4)5)42-35(50)31(22(2)3)41-30(48)20-12-11-19-29-43-45-46-44-29/h8-10,15-16,22-24,26-28,31-33H,7,11-14,17-21H2,1-6H3,(H,39,52)(H,40,51)(H,41,48)(H,42,50)(H,43,44,45,46)/t24-,26?,27?,28?,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	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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