Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50311982'   

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))	BDBM50311982 ((S)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamin...) Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(N[C@@H]2CN3CCC2CC3)cc1)-c1ccncc1 |r,wD:21.23,(12.65,-48.79,;13.43,-47.46,;14.97,-47.48,;15.75,-46.14,;14.99,-44.81,;13.46,-44.8,;12.67,-46.12,;12.72,-43.45,;13.63,-42.21,;12.73,-40.96,;11.26,-41.43,;9.93,-40.66,;8.59,-41.43,;8.59,-42.96,;9.92,-43.74,;11.26,-42.97,;9.93,-39.13,;8.6,-38.36,;8.6,-36.81,;9.93,-36.04,;9.95,-34.5,;11.3,-33.75,;11.33,-32.2,;12.68,-31.45,;14,-32.25,;13.98,-33.79,;12.63,-34.54,;13.14,-33.23,;11.85,-32.65,;11.27,-36.81,;11.28,-38.36,;15.17,-42.22,;15.93,-43.56,;17.47,-43.57,;18.25,-42.24,;17.47,-40.9,;15.94,-40.9,)| Show InChI InChI=1S/C30H28N6O/c37-25-3-1-2-23(18-25)28-29(22-8-13-31-14-9-22)34-36-27(10-15-32-30(28)36)21-4-6-24(7-5-21)33-26-19-35-16-11-20(26)12-17-35/h1-10,13-15,18,20,26,33,37H,11-12,16-17,19H2/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation				Bioorg Med Chem Lett 19: 6571-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.030 BindingDB Entry DOI: 10.7270/Q29Z9510
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