BDBM50141204 4-{[(R)-(S)-4-Benzyloxy-1-((R)-3-methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-hexanoic acid ethyl ester::CHEMBL285014

SMILES: CCOC(=O)C(F)(F)C(=O)C(CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1

InChI Key: InChIKey=JULAWQJIKYMGPR-HPOFYJPCSA-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 = 50141204   

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)	BDBM50141204 (4-{[(R)-(S)-4-Benzyloxy-1-((R)-3-methyl-2-{(R)-3-m...) Show SMILES CCOC(=O)C(F)(F)C(=O)C(CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1 Show InChI InChI=1S/C35H46F2N6O8/c1-7-24(29(44)35(36,37)34(49)50-8-2)40-31(46)26-16-23(51-19-22-12-10-9-11-13-22)18-43(26)33(48)28(21(5)6)42-32(47)27(20(3)4)41-30(45)25-17-38-14-15-39-25/h9-15,17,20-21,23-24,26-28H,7-8,16,18-19H2,1-6H3,(H,40,46)(H,41,45)(H,42,47)/t23-,24?,26+,27-,28-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA)				Bioorg Med Chem Lett 14: 1441-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.022 BindingDB Entry DOI: 10.7270/Q24Q7TD2
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