Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM35651'
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals Inc

LigandPNGBDBM35651(pyrimidylpyrrole, 10d)
Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C
Show InChI InChI=1S/C25H25N5O2/c1-16-7-6-8-18(11-16)22(15-31)29-24(32)21-12-19(14-26-21)23-17(2)13-27-25(30-23)28-20-9-4-3-5-10-20/h3-14,22,26,31H,15H2,1-2H3,(H,29,32)(H,27,28,30)/t22-/m1/s1
Affinity DataKi: <2nM ΔG°: <-50.5kJ/molepH: 7.5 T: 2°CAssay Description:A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...More data for this Ligand-Target Pair