Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50468565'   

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 (Mus musculus)	BDBM50468565 (CHEMBL4277125) Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9| Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...				Eur J Med Chem 155: 725-735 (2018) Article DOI: 10.1016/j.ejmech.2018.06.043 BindingDB Entry DOI: 10.7270/Q2639SF8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50468565 (CHEMBL4277125) Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9| Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32)	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	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged wild type BRAF expressed in baculovirus expression system using recombinant human full length ...				Eur J Med Chem 155: 725-735 (2018) Article DOI: 10.1016/j.ejmech.2018.06.043 BindingDB Entry DOI: 10.7270/Q2639SF8
					More data for this Ligand-Target Pair