Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAF proto-oncogene serine/threonine-protein kinase' and Ligand = 'BDBM50096324'   

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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50096324 (CHEMBL3577121) Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C26H22ClFN4O/c27-21-8-2-3-9-23(21)32-25(30-22-13-11-18(28)17-20(22)26(32)33)14-12-19-7-6-10-24(29-19)31-15-4-1-5-16-31/h2-3,6-14,17H,1,4-5,15-16H2/b14-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...				J Med Chem 58: 4165-79 (2015) Article DOI: 10.1021/acs.jmedchem.5b00067 BindingDB Entry DOI: 10.7270/Q2ZS2Z85
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