Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase receptor Ret' and Ligand = 'BDBM50458625'   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458625 (CHEMBL4218013) Show SMILES CCOc1cc(c[nH]c1=O)-c1ccc(NC(=O)Nc2ccc(CN3CCN(CC)CC3)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C28H31F4N5O3/c1-3-36-9-11-37(12-10-36)17-19-5-7-21(15-22(19)28(30,31)32)34-27(39)35-24-8-6-18(13-23(24)29)20-14-25(40-4-2)26(38)33-16-20/h5-8,13-16H,3-4,9-12,17H2,1-2H3,(H,33,38)(H2,34,35,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
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