Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor kinase 5' and Ligand = 'BDBM50444101'   

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))	BDBM50444101 (CHEMBL3093250) Show SMILES COc1ccc(cc1)-c1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H26N6O2/c1-34-22-5-2-17(3-6-22)18-4-7-24-25(13-18)35-27(32-24)23-12-19(14-30-26(23)28)20-15-31-33(16-20)21-8-10-29-11-9-21/h2-7,12-16,21,29H,8-11H2,1H3,(H2,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+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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