Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-dependent protein kinase catalytic subunit alpha' and Ligand = 'BDBM50462718'   

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
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM50462718 (CHEMBL4237479) Show SMILES CN1CCC(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1 Show InChI InChI=1S/C25H30N4O2S/c1-29-13-9-19(10-14-29)5-3-15-31-22-6-2-4-20(16-22)17-24(30)28-25-27-23(18-32-25)21-7-11-26-12-8-21/h2,4,6-8,11-12,16,18-19H,3,5,9-10,13-15,17H2,1H3,(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c...				Bioorg Med Chem Lett 28: 2616-2621 (2018) Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH
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