BDBM50431921 CHEMBL2347842

SMILES: CC(=O)N1CCN(CC1)c1ccc(Oc2ccc(Cl)cc2O)cc1

InChI Key: InChIKey=YXCULPUNVLAFLE-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 = 50431921   

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
Enoyl-acyl carrier reductase (Toxoplasma gondii)	BDBM50431921 (CHEMBL2347842) Show SMILES CC(=O)N1CCN(CC1)c1ccc(Oc2ccc(Cl)cc2O)cc1 Show InChI InChI=1S/C18H19ClN2O3/c1-13(22)20-8-10-21(11-9-20)15-3-5-16(6-4-15)24-18-7-2-14(19)12-17(18)23/h2-7,12,23H,8-11H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP				Bioorg Med Chem Lett 23: 2035-43 (2013) Article DOI: 10.1016/j.bmcl.2013.02.019 BindingDB Entry DOI: 10.7270/Q29Z968J
					More data for this Ligand-Target Pair