Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM92048'
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92048(erk000463)
Show SMILES C[C@@H](O)CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H25N5O3/c1-13-9-23-21(24-10-14(2)28)26-19(13)16-8-17(22-11-16)20(29)25-18(12-27)15-6-4-3-5-7-15/h3-9,11,14,18,22,27-28H,10,12H2,1-2H3,(H,25,29)(H,23,24,26)/t14-,18-/m1/s1
Affinity DataKi:  26.9nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92048(erk000463)
Show SMILES C[C@@H](O)CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H25N5O3/c1-13-9-23-21(24-10-14(2)28)26-19(13)16-8-17(22-11-16)20(29)25-18(12-27)15-6-4-3-5-7-15/h3-9,11,14,18,22,27-28H,10,12H2,1-2H3,(H,25,29)(H,23,24,26)/t14-,18-/m1/s1
Affinity DataKi:  27nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed