Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50485105'   

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))	BDBM50485105 (CHEMBL2030229) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C)nn3c2)c1F Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)23-13-5-4-12(18)15(16(13)19)17(25)21-11-8-20-14-7-10(2)22-24(14)9-11/h4-5,7-9,23H,3,6H2,1-2H3,(H,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-raf V600E mutant				Bioorg Med Chem Lett 22: 1165-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485105 (CHEMBL2030229) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C)nn3c2)c1F Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)23-13-5-4-12(18)15(16(13)19)17(25)21-11-8-20-14-7-10(2)22-24(14)9-11/h4-5,7-9,23H,3,6H2,1-2H3,(H,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of B-raf V600E mutant-mediated Erk phosphorylation in human Malme3 cells				Bioorg Med Chem Lett 22: 1165-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ
					More data for this Ligand-Target Pair