BDBM50137959 1-{[(R)-(S)-1-[(S)-2-((S)-2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(biphenyl-3-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid::CHEMBL368579

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)Oc1cccc(c1)-c1ccccc1

InChI Key: InChIKey=MYZAJWFKCUWICK-FIMFPACCSA-N

Data: 1 IC50

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 = 50137959   

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)	BDBM50137959 (1-{[(R)-(S)-1-[(S)-2-((S)-2-Acetylamino-2-cyclohex...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)Oc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C38H48N4O7/c1-5-28-21-38(28,37(47)48)41-34(44)31-20-30(49-29-18-12-17-27(19-29)25-13-8-6-9-14-25)22-42(31)36(46)32(23(2)3)40-35(45)33(39-24(4)43)26-15-10-7-11-16-26/h5-6,8-9,12-14,17-19,23,26,28,30-33H,1,7,10-11,15-16,20-22H2,2-4H3,(H,39,43)(H,40,45)(H,41,44)(H,47,48)/t28-,30-,31+,32+,33+,38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus NS3 protease				J Med Chem 47: 123-32 (2003) Article DOI: 10.1021/jm0303002 BindingDB Entry DOI: 10.7270/Q2Q52P2S
					More data for this Ligand-Target Pair