BDBM50125485 (6S,8R)-1-Chloro-3-(3-methoxy-benzylamino)-8-(3-naphthalen-1-yl-propyl)-4-oxo-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::CHEMBL414202

SMILES: COc1cccc(CNc2nc(Cl)c3[C@H](CCCc4cccc5ccccc45)C[C@@H](C(=O)N[C@@H](CC=C)B4OC5CC6CC(C6(C)C)[C@@]5(C)O4)n3c2=O)c1

InChI Key: InChIKey=WVBPRLURAGXADI-ZJEWCNDUSA-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 = 50125485   

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)	BDBM50125485 ((6S,8R)-1-Chloro-3-(3-methoxy-benzylamino)-8-(3-na...) Show SMILES COc1cccc(CNc2nc(Cl)c3[C@H](CCCc4cccc5ccccc45)C[C@@H](C(=O)N[C@@H](CC=C)B4OC5CC6CC(C6(C)C)[C@@]5(C)O4)n3c2=O)c1 Show InChI InChI=1S/C43H50BClN4O5/c1-6-12-36(44-53-35-24-30-23-34(42(30,2)3)43(35,4)54-44)47-40(50)33-22-29(18-11-17-28-16-10-15-27-14-7-8-20-32(27)28)37-38(45)48-39(41(51)49(33)37)46-25-26-13-9-19-31(21-26)52-5/h6-10,13-16,19-21,29-30,33-36H,1,11-12,17-18,22-25H2,2-5H3,(H,46,48)(H,47,50)/t29-,30?,33+,34?,35?,36+,43-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	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