BDBM50125490 (6S,8R)-1-Chloro-8-(3-naphthalen-1-yl-propyl)-4-oxo-3-[(pyridin-2-ylmethyl)-amino]-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::CHEMBL277838

SMILES: CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCc3ccccn3)c(=O)n12

InChI Key: InChIKey=XWHKMAVCUKEPIB-AVPVQDMFSA-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 = 50125490   

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)	BDBM50125490 ((6S,8R)-1-Chloro-8-(3-naphthalen-1-yl-propyl)-4-ox...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCc3ccccn3)c(=O)n12 Show InChI InChI=1S/C41H47BClN5O4/c1-5-12-34(42-51-33-23-28-22-32(40(28,2)3)41(33,4)52-42)46-38(49)31-21-27(17-11-16-26-15-10-14-25-13-6-7-19-30(25)26)35-36(43)47-37(39(50)48(31)35)45-24-29-18-8-9-20-44-29/h5-10,13-15,18-20,27-28,31-34H,1,11-12,16-17,21-24H2,2-4H3,(H,45,47)(H,46,49)/t27-,28?,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	90	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