Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 401.4 BDBM50168186

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
cGMP-dependent protein kinase (Eimeria tenella)	BDBM50168186 (4-[5-(1-Methyl-piperidin-4-yl)-2-(4-trifluorometho...) Show SMILES CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(OC(F)(F)F)cc1)-c1ccncc1 Show InChI InChI=1S/C22H22F3N3O/c1-28-12-8-16(9-13-28)20-14-19(15-6-10-26-11-7-15)21(27-20)17-2-4-18(5-3-17)29-22(23,24)25/h2-7,10-11,14,16,27H,8-9,12-13H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase				Bioorg Med Chem Lett 15: 3296-301 (2005) Article DOI: 10.1016/j.bmcl.2005.04.060 BindingDB Entry DOI: 10.7270/Q24M9421
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