Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50496938'   

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))	BDBM50496938 (CHEMBL3236195) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(OC)c3c2)c1Cl Show InChI InChI=1S/C18H18ClFN4O3S/c1-3-8-28(25,26)24-15-7-5-13(20)17(16(15)19)23-11-4-6-14-12(9-11)18(27-2)22-10-21-14/h4-7,9-10,23-24H,3,8H2,1-2H3	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	16	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 (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496938 (CHEMBL3236195) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(OC)c3c2)c1Cl Show InChI InChI=1S/C18H18ClFN4O3S/c1-3-8-28(25,26)24-15-7-5-13(20)17(16(15)19)23-11-4-6-14-12(9-11)18(27-2)22-10-21-14/h4-7,9-10,23-24H,3,8H2,1-2H3	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	733	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 in human Malme-3M cells assessed as basal ERK phosphorylation				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair