Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50485101'   

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))	BDBM50485101 (CHEMBL2030235) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(NC(C)C)nn3c2)c1F Show InChI InChI=1S/C19H22F2N6O3S/c1-4-7-31(29,30)26-14-6-5-13(20)17(18(14)21)19(28)24-12-9-22-16-8-15(23-11(2)3)25-27(16)10-12/h5-6,8-11,26H,4,7H2,1-3H3,(H,23,25)(H,24,28)	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	190	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))	BDBM50485101 (CHEMBL2030235) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(NC(C)C)nn3c2)c1F Show InChI InChI=1S/C19H22F2N6O3S/c1-4-7-31(29,30)26-14-6-5-13(20)17(18(14)21)19(28)24-12-9-22-16-8-15(23-11(2)3)25-27(16)10-12/h5-6,8-11,26H,4,7H2,1-3H3,(H,23,25)(H,24,28)	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	395	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