Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50176334'   

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))	BDBM50176334 (5-(2-(1-amino-2-methylpropan-2-yl)-5-(pyridin-4-yl...) Show SMILES CC(C)(CN)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1 Show InChI InChI=1S/C18H19ClN4O/c1-18(2,10-20)17-22-15(11-5-7-21-8-6-11)16(23-17)12-3-4-13(19)14(24)9-12/h3-9,24H,10,20H2,1-2H3,(H,22,23)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition bRaf kinase activity				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176334 (5-(2-(1-amino-2-methylpropan-2-yl)-5-(pyridin-4-yl...) Show SMILES CC(C)(CN)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1 Show InChI InChI=1S/C18H19ClN4O/c1-18(2,10-20)17-22-15(11-5-7-21-8-6-11)16(23-17)12-3-4-13(19)14(24)9-12/h3-9,24H,10,20H2,1-2H3,(H,22,23)	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	n/a	4.80	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair