Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor kinase 5' and Ligand = 'BDBM50444097'   

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))	BDBM50444097 (CHEMBL3093254) Show SMILES Nc1ncc(cc1-c1nc2ccc(O)c(-c3ccc4cn[nH]c4c3)c2o1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H24N8O2/c28-26-20(9-17(11-30-26)18-13-32-35(14-18)19-5-7-29-8-6-19)27-33-21-3-4-23(36)24(25(21)37-27)15-1-2-16-12-31-34-22(16)10-15/h1-4,9-14,19,29,36H,5-8H2,(H2,28,30)(H,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	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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