BDBM50125481 (6S,8R)-1-Chloro-8-(3-naphthalen-2-yl-propyl)-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)-propyl]-amide::CHEMBL276280

SMILES: CC[C@H](NC(=O)[C@@H]1C[C@@H](CCCc2ccc3ccccc3c2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2CC3CC(C3(C)C)[C@@]2(C)O1

InChI Key: InChIKey=ULSHAQNGNKYAIK-UOAQHXDISA-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 = 50125481   

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)	BDBM50125481 ((6S,8R)-1-Chloro-8-(3-naphthalen-2-yl-propyl)-4-ox...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@H](CCCc2ccc3ccccc3c2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2CC3CC(C3(C)C)[C@@]2(C)O1 Show InChI InChI=1S/C42H47BClF3N4O4/c1-5-34(43-54-33-22-30-21-32(40(30,2)3)41(33,4)55-43)49-38(52)31-20-28(14-8-10-24-16-17-26-12-6-7-13-27(26)18-24)35-36(44)50-37(39(53)51(31)35)48-23-25-11-9-15-29(19-25)42(45,46)47/h6-7,9,11-13,15-19,28,30-34H,5,8,10,14,20-23H2,1-4H3,(H,48,50)(H,49,52)/t28-,30?,31+,32?,33?,34+,41-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	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