BDBM50125491 (6S,8R)-8-Biphenyl-4-ylmethyl-1-chloro-4-oxo-3-(3-trifluoromethyl-benzylamino)-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(R)-1-((R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-but-3-enyl]-amide::CHEMBL15823

SMILES: CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](Cc2ccc(cc2)-c2ccccc2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12

InChI Key: InChIKey=CVUHTTSYWFTKEW-DIDRVCTMSA-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 = 50125491   

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)	BDBM50125491 ((6S,8R)-8-Biphenyl-4-ylmethyl-1-chloro-4-oxo-3-(3-...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](Cc2ccc(cc2)-c2ccccc2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12 Show InChI InChI=1S/C43H45BClF3N4O4/c1-5-10-35(44-55-34-23-31-22-33(41(31,2)3)42(34,4)56-44)50-39(53)32-21-29(19-25-15-17-28(18-16-25)27-12-7-6-8-13-27)36-37(45)51-38(40(54)52(32)36)49-24-26-11-9-14-30(20-26)43(46,47)48/h5-9,11-18,20,29,31-35H,1,10,19,21-24H2,2-4H3,(H,49,51)(H,50,53)/t29-,31?,32+,33?,34?,35+,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair