Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) for PDB: 4FC0
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50401285(CHEMBL2204532)
Show SMILES CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1
Show InChI InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37)
Affinity DataIC50: 69nMAssay Description:Inhibition of wild type human BRAF (445 to 726) expressed in Sf9 insect cellsMore data for this Ligand-Target Pair