Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50485029'   

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))	BDBM50485029 (CHEMBL2023334) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnccc2n(CCc2ccccc2)c1=O |(8.36,-21.46,;7.02,-20.69,;5.69,-21.46,;4.37,-20.7,;3.58,-19.35,;5.12,-19.35,;3.03,-21.47,;1.7,-20.7,;1.69,-19.15,;.35,-18.39,;-.98,-19.16,;-2.31,-18.39,;-.98,-20.7,;.36,-21.47,;.36,-23.02,;-2.31,-21.47,;-3.64,-20.69,;-4.97,-21.46,;-6.29,-20.69,;-7.62,-21.45,;-7.62,-22.99,;-6.3,-23.76,;-4.98,-22.99,;-3.64,-23.77,;-3.64,-25.31,;-2.3,-26.08,;-2.3,-27.62,;-3.64,-28.39,;-3.64,-29.93,;-2.3,-30.7,;-.97,-29.92,;-.97,-28.38,;-2.31,-23,;-.97,-23.77,)| Show InChI InChI=1S/C25H23F2N3O3S/c1-2-14-34(32,33)29-21-9-8-20(26)23(24(21)27)19-15-18-16-28-12-10-22(18)30(25(19)31)13-11-17-6-4-3-5-7-17/h3-10,12,15-16,29H,2,11,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485029 (CHEMBL2023334) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnccc2n(CCc2ccccc2)c1=O |(8.36,-21.46,;7.02,-20.69,;5.69,-21.46,;4.37,-20.7,;3.58,-19.35,;5.12,-19.35,;3.03,-21.47,;1.7,-20.7,;1.69,-19.15,;.35,-18.39,;-.98,-19.16,;-2.31,-18.39,;-.98,-20.7,;.36,-21.47,;.36,-23.02,;-2.31,-21.47,;-3.64,-20.69,;-4.97,-21.46,;-6.29,-20.69,;-7.62,-21.45,;-7.62,-22.99,;-6.3,-23.76,;-4.98,-22.99,;-3.64,-23.77,;-3.64,-25.31,;-2.3,-26.08,;-2.3,-27.62,;-3.64,-28.39,;-3.64,-29.93,;-2.3,-30.7,;-.97,-29.92,;-.97,-28.38,;-2.31,-23,;-.97,-23.77,)| Show InChI InChI=1S/C25H23F2N3O3S/c1-2-14-34(32,33)29-21-9-8-20(26)23(24(21)27)19-15-18-16-28-12-10-22(18)30(25(19)31)13-11-17-6-4-3-5-7-17/h3-10,12,15-16,29H,2,11,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair