Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50303126'   

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))	BDBM50303126 (7-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyrid...) Show SMILES CCN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(c2[nH]ncc12)C(F)(F)F |THB:10:8:2:4.5,(12.5,-34.61,;11.19,-35.41,;11.21,-36.95,;10.68,-38.41,;9.16,-39.09,;10.53,-39.06,;11.72,-38.2,;13.26,-39.04,;12.72,-40.51,;12.27,-39.33,;12.72,-42.05,;11.39,-42.82,;11.39,-44.37,;12.72,-45.14,;14.06,-44.37,;15.53,-44.84,;16.44,-43.59,;15.53,-42.34,;14.06,-42.82,;17.97,-43.59,;18.74,-44.92,;20.28,-44.92,;21.05,-43.59,;20.27,-42.25,;18.74,-42.26,;15.6,-46.38,;14.3,-47.2,;14.36,-48.74,;15.72,-49.46,;17.03,-48.64,;18.52,-49.05,;19.38,-47.76,;18.41,-46.54,;16.96,-47.09,;15.78,-51,;14.48,-51.82,;17.14,-51.72,;15.76,-52.72,)| Show InChI InChI=1S/C28H26F3N7/c1-2-37-18-3-4-19(37)14-17(13-18)23-9-12-33-27-24(25(36-38(23)27)16-7-10-32-11-8-16)20-5-6-22(28(29,30)31)26-21(20)15-34-35-26/h5-12,15,17-19H,2-4,13-14H2,1H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of B-Raf				Bioorg Med Chem Lett 19: 6957-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.058 BindingDB Entry DOI: 10.7270/Q2833S34
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