BDBM50150986 (E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2-isobutoxycarbonylamino-3-methyl-butyryl)-4-phenyl-pyrrolidine-2-carbonyl]-amino}-butyrylamino)-ethyl]-4-fluoro-phenyl}-acrylic acid::CHEMBL435498

SMILES: CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cc(C=CC(O)=O)ccc1F)c1ccccc1

InChI Key: InChIKey=QJTNUOZZFUWWTE-LZMGPXDLSA-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 = 50150986   

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)	BDBM50150986 ((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cc(C=CC(O)=O)ccc1F)c1ccccc1 |w:36.37| Show InChI InChI=1S/C36H45F3N4O7/c1-21(2)20-50-36(49)42-32(22(3)4)35(48)43-19-26(24-8-6-5-7-9-24)17-29(43)34(47)41-28(18-30(38)39)33(46)40-15-14-25-16-23(10-12-27(25)37)11-13-31(44)45/h5-13,16,21-22,26,28-30,32H,14-15,17-20H2,1-4H3,(H,40,46)(H,41,47)(H,42,49)(H,44,45)/t26-,28+,29+,32+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair