BDBM152707 Methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (2)

SMILES: COC(=O)C1=C(C)NC(=O)CC1c1cc2OCOc2cc1Br

InChI Key: InChIKey=GEHKEIYQWSICQI-UHFFFAOYSA-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 = 152707   

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
Eis_Ban acetyltransferase (Eis_Ban) (Bacillus anthracis str. Sterne)	BDBM152707 (Methyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-methy...) Show SMILES COC(=O)C1=C(C)NC(=O)CC1c1cc2OCOc2cc1Br |c:4| Show InChI InChI=1S/C15H14BrNO5/c1-7-14(15(19)20-2)9(4-13(18)17-7)8-3-11-12(5-10(8)16)22-6-21-11/h3,5,9H,4,6H2,1-2H3,(H,17,18)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	8.0	n/a
University of Kentucky					Assay Description Briefly, reactions (200 μL) contained compounds 1−3 dissolved in Tris-HCl buffer (50 mM, pH 8.0, 10% DMSO) with a 5-fold serial dilution, ...				Biochemistry 54: 3197-206 (2015) Article DOI: 10.1021/acs.biochem.5b00244 BindingDB Entry DOI: 10.7270/Q2TT4PP3
					More data for this Ligand-Target Pair