Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor kinase 5' and Ligand = 'BDBM50444107'   

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))	BDBM50444107 (CHEMBL3093244) Show SMILES Nc1ncc(cc1-c1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H25FN8O2/c28-18-1-3-19(4-2-18)33-27(37)34-20-5-6-23-24(12-20)38-26(35-23)22-11-16(13-31-25(22)29)17-14-32-36(15-17)21-7-9-30-10-8-21/h1-6,11-15,21,30H,7-10H2,(H2,29,31)(H2,33,34,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	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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