Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50176320'   

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))	BDBM50176320 (CHEMBL381447 | N-(2-(4-(4-chloro-3-hydroxyphenyl)-...) Show SMILES CC(C)(CNS(C)(=O)=O)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1 Show InChI InChI=1S/C19H21ClN4O3S/c1-19(2,11-22-28(3,26)27)18-23-16(12-6-8-21-9-7-12)17(24-18)13-4-5-14(20)15(25)10-13/h4-10,22,25H,11H2,1-3H3,(H,23,24)	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	14	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))	BDBM50176320 (CHEMBL381447 | N-(2-(4-(4-chloro-3-hydroxyphenyl)-...) Show SMILES CC(C)(CNS(C)(=O)=O)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1 Show InChI InChI=1S/C19H21ClN4O3S/c1-19(2,11-22-28(3,26)27)18-23-16(12-6-8-21-9-7-12)17(24-18)13-4-5-14(20)15(25)10-13/h4-10,22,25H,11H2,1-3H3,(H,23,24)	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	10	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