Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM333654'   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333654 (1-(3-(6- Methoxy-7- (2- methoxyethoxy) quinazolin-...) Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)-c4ccccc4)c3)c2cc1OC Show InChI InChI=1S/C28H25N5O5S/c1-35-11-12-37-25-15-22-21(14-24(25)36-2)27(30-17-29-22)39-20-10-6-9-19(13-20)31-28(34)32-26-16-23(38-33-26)18-7-4-3-5-8-18/h3-10,13-17H,11-12H2,1-2H3,(H2,31,32,33,34)	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	>1.00E+3	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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