Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50484696'   

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))	BDBM50484696 (CHEMBL1939071) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C19H19ClFN5O3S/c1-2-7-30(28,29)26-14-6-5-13(21)15(16(14)20)19(27)23-11-8-12-17(10-3-4-10)24-25-18(12)22-9-11/h5-6,8-10,26H,2-4,7H2,1H3,(H,23,27)(H,22,24,25)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484696 (CHEMBL1939071) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C19H19ClFN5O3S/c1-2-7-30(28,29)26-14-6-5-13(21)15(16(14)20)19(27)23-11-8-12-17(10-3-4-10)24-25-18(12)22-9-11/h5-6,8-10,26H,2-4,7H2,1H3,(H,23,27)(H,22,24,25)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair