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 = 'BDBM50338875'   

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))	BDBM50338875 (CHEMBL1684783 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...) Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)N4CCN(C)CC4)ccc3C)c2N)cc1 Show InChI InChI=1S/C32H34F3N7O3/c1-20-4-7-24(38-30(43)22-14-23(32(33,34)35)16-25(15-22)41-12-10-40(2)11-13-41)17-27(20)31(44)39-28-18-37-42(29(28)36)19-21-5-8-26(45-3)9-6-21/h4-9,14-18H,10-13,19,36H2,1-3H3,(H,38,43)(H,39,44)	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as [33P]gamma-ATP incorporation into substrate after 40 mins by scintillation counting				Bioorg Med Chem 19: 1915-23 (2011) Article DOI: 10.1016/j.bmc.2011.01.067 BindingDB Entry DOI: 10.7270/Q2D79CD3
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