Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor kinase 5' and Ligand = 'BDBM50444091'   

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
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444091 (CHEMBL3093257) Show SMILES COc1ccc2nc(oc2c1-c1ccc2cn[nH]c2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C28H26N8O2/c1-37-24-5-4-22-26(25(24)16-2-3-17-13-32-35-23(17)11-16)38-28(34-22)21-10-18(12-31-27(21)29)19-14-33-36(15-19)20-6-8-30-9-7-20/h2-5,10-15,20,30H,6-9H2,1H3,(H2,29,31)(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
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