BDBM50131396 4-[2-(2-{[(2S,4R)-1-((S)-2-tert-Butoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-4,4-difluoro-butyrylamino)-ethyl]-3,5-difluoro-benzoic acid::CHEMBL317487

SMILES: COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1ccccc1

InChI Key: InChIKey=OJIDVGWUFLHFRB-FKLJLUOJSA-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 = 50131396   

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)	BDBM50131396 (4-[2-(2-{[(2S,4R)-1-((S)-2-tert-Butoxycarbonylamin...) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C45H51F4N5O9/c1-44(2,3)38(53-43(60)63-45(4,5)6)41(57)54-23-27(62-36-21-32(24-11-9-8-10-12-24)51-33-19-26(61-7)13-14-29(33)36)20-35(54)40(56)52-34(22-37(48)49)39(55)50-16-15-28-30(46)17-25(42(58)59)18-31(28)47/h8-14,17-19,21,27,34-35,37-38H,15-16,20,22-23H2,1-7H3,(H,50,55)(H,52,56)(H,53,60)(H,58,59)/t27-,34?,35+,38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against hepatitis C virus (HCV) NS3 protease				Bioorg Med Chem Lett 13: 2745-8 (2003) BindingDB Entry DOI: 10.7270/Q2DZ07Q9
					More data for this Ligand-Target Pair