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 = 'BDBM333591'   

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))	BDBM333591 (1-(4- methoxy-3- (trifluoromethyl) phenyl)-3-(3-(6...) Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(OC)c(c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H25F3N4O6/c1-36-9-10-39-24-14-21-19(13-23(24)38-3)25(32-15-31-21)40-18-6-4-5-16(11-18)33-26(35)34-17-7-8-22(37-2)20(12-17)27(28,29)30/h4-8,11-15H,9-10H2,1-3H3,(H2,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
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