Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50303120'   

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))	BDBM50303120 (1-(3-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dih...) Show SMILES CC(=O)CN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |THB:12:10:4:6.7,(13.66,1.58,;12.31,2.32,;12.28,3.86,;10.99,1.53,;11.02,-.01,;10.48,-1.47,;8.96,-2.16,;10.33,-2.12,;11.53,-1.26,;13.07,-2.1,;12.52,-3.58,;12.08,-2.39,;12.53,-5.11,;11.2,-5.88,;11.2,-7.43,;12.53,-8.2,;13.86,-7.43,;15.34,-7.9,;16.25,-6.65,;15.34,-5.4,;13.86,-5.88,;17.78,-6.65,;18.55,-7.98,;20.09,-7.98,;20.86,-6.65,;20.08,-5.31,;18.54,-5.32,;15.4,-9.44,;14.1,-10.26,;14.16,-11.8,;15.53,-12.52,;16.83,-11.7,;18.33,-12.11,;19.18,-10.82,;18.22,-9.61,;16.77,-10.15,)| Show InChI InChI=1S/C28H27N7O/c1-17(36)16-34-20-5-6-21(34)14-19(13-20)25-9-12-30-28-26(22-3-2-4-24-23(22)15-31-32-24)27(33-35(25)28)18-7-10-29-11-8-18/h2-4,7-12,15,19-21H,5-6,13-14,16H2,1H3,(H,31,32)	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	75.9	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