Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50303129'   

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))	BDBM50303129 (CHEMBL585335 | ethyl 3-(3-(1H-indazol-4-yl)-6-meth...) Show SMILES CCOC(=O)N1C2CCC1CC(C2)c1c(C)cnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |THB:13:11:5:7.8,(5.99,.06,;4.67,-.73,;3.32,.01,;2,-.78,;.65,-.04,;2.03,-2.32,;1.5,-3.79,;-.02,-4.47,;1.35,-4.44,;2.54,-3.57,;4.08,-4.42,;3.54,-5.89,;3.09,-4.7,;3.54,-7.43,;2.21,-8.2,;.88,-7.43,;2.21,-9.74,;3.54,-10.51,;4.88,-9.74,;6.35,-10.22,;7.26,-8.97,;6.35,-7.71,;4.88,-8.19,;8.79,-8.97,;9.56,-10.3,;11.1,-10.3,;11.87,-8.97,;11.09,-7.63,;9.56,-7.64,;6.42,-11.76,;5.12,-12.58,;5.18,-14.12,;6.54,-14.84,;7.85,-14.02,;9.34,-14.43,;10.2,-13.13,;9.23,-11.92,;7.78,-12.47,)| Show InChI InChI=1S/C29H29N7O2/c1-3-38-29(37)35-20-7-8-21(35)14-19(13-20)27-17(2)15-31-28-25(22-5-4-6-24-23(22)16-32-33-24)26(34-36(27)28)18-9-11-30-12-10-18/h4-6,9-12,15-16,19-21H,3,7-8,13-14H2,1-2H3,(H,32,33)	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	8.40	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
					More data for this Ligand-Target Pair