Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf [V600E]' and Ligand = 'BDBM333649'   

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 [V600E] (Homo sapiens (Human))	BDBM333649 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)	PDB UniProtKB/SwissProt 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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333649 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	750	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
					More data for this Ligand-Target Pair