Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent protein kinase' and Ligand = 'BDBM50168198'   

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)	BDBM50168198 (4-[2-Furan-2-yl-5-(1-methyl-piperidin-4-yl)-1H-pyr...) Show SMILES CN1CCC(CC1)c1cc(c([nH]1)-c1ccco1)-c1ccncc1 Show InChI InChI=1S/C19H21N3O/c1-22-10-6-15(7-11-22)17-13-16(14-4-8-20-9-5-14)19(21-17)18-3-2-12-23-18/h2-5,8-9,12-13,15,21H,6-7,10-11H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11.1	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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