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 = 'BDBM50264718'   

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))	BDBM50264718 (CHEMBL4085294) Show SMILES CN1CCC(CNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C30H32ClF3N6O2/c1-18-3-4-20(27(41)38-21-5-6-23(31)22(14-21)30(32,33)34)13-24(18)39-28(42)29(9-10-29)25-15-26(37-17-36-25)35-16-19-7-11-40(2)12-8-19/h3-6,13-15,17,19H,7-12,16H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...				Eur J Med Chem 130: 86-106 (2017) Article DOI: 10.1016/j.ejmech.2017.02.041 BindingDB Entry DOI: 10.7270/Q2DN47JG
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