Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM92031'
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92031(erk000435)
Show SMILES Cc1ccc(cc1F)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C
Show InChI InChI=1S/C25H24FN5O2/c1-15-8-9-17(10-20(15)26)22(14-32)30-24(33)21-11-18(13-27-21)23-16(2)12-28-25(31-23)29-19-6-4-3-5-7-19/h3-13,22,27,32H,14H2,1-2H3,(H,30,33)(H,28,29,31)/t22-/m1/s1
Affinity DataKi:  2nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92031(erk000435)
Show SMILES Cc1ccc(cc1F)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C
Show InChI InChI=1S/C25H24FN5O2/c1-15-8-9-17(10-20(15)26)22(14-32)30-24(33)21-11-18(13-27-21)23-16(2)12-28-25(31-23)29-19-6-4-3-5-7-19/h3-13,22,27,32H,14H2,1-2H3,(H,30,33)(H,28,29,31)/t22-/m1/s1
Affinity DataKi:  2nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed