Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor kinase 5' and Ligand = 'BDBM50444119'   

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))	BDBM50444119 (CHEMBL3093156) Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)-c1cn[nH]c1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C23H22N8O/c24-22-19(23-30-20-2-1-14(8-21(20)32-23)16-10-27-28-11-16)7-15(9-26-22)17-12-29-31(13-17)18-3-5-25-6-4-18/h1-2,7-13,18,25H,3-6H2,(H2,24,26)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+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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