Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50303127'   

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))	BDBM50303127 (CHEMBL583133 | ethyl 3-(3-(7-methyl-1H-indazol-4-y...) Show SMILES CCOC(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(C)c2[nH]ncc12 |THB:13:11:5:7.8,(-1.88,2.01,;-3.2,1.22,;-4.55,1.96,;-5.86,1.17,;-7.21,1.91,;-5.83,-.37,;-6.37,-1.84,;-7.89,-2.52,;-6.52,-2.48,;-5.33,-1.62,;-3.79,-2.47,;-4.33,-3.94,;-4.77,-2.75,;-4.33,-5.48,;-5.65,-6.25,;-5.66,-7.79,;-4.32,-8.56,;-2.99,-7.79,;-1.52,-8.27,;-.6,-7.02,;-1.52,-5.76,;-2.99,-6.24,;.93,-7.01,;1.7,-8.35,;3.23,-8.35,;4.01,-7.02,;3.23,-5.68,;1.69,-5.68,;-1.45,-9.8,;-2.75,-10.63,;-2.69,-12.17,;-1.33,-12.89,;-1.27,-14.42,;-.02,-12.06,;1.48,-12.48,;2.33,-11.18,;1.36,-9.97,;-.09,-10.51,)| Show InChI InChI=1S/C29H29N7O2/c1-3-38-29(37)35-20-5-6-21(35)15-19(14-20)24-10-13-31-28-25(22-7-4-17(2)26-23(22)16-32-33-26)27(34-36(24)28)18-8-11-30-12-9-18/h4,7-13,16,19-21H,3,5-6,14-15H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	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