Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50179524'   

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))	BDBM50179524 (CHEMBL3814543) Show SMILES CNS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(C)=O)ccc3c2=O)c1F Show InChI InChI=1S/C18H16FN3O7S/c1-10(23)28-12-6-7-13-15(8-12)29-18(25)22(17(13)24)9-11-4-3-5-14(16(11)19)21-30(26,27)20-2/h3-8,20-21H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay				Bioorg Med Chem 24: 3472-82 (2016) Article DOI: 10.1016/j.bmc.2016.05.055 BindingDB Entry DOI: 10.7270/Q251415P
					More data for this Ligand-Target Pair