Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM92098'
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
CSAR

LigandPNGBDBM92098(erk000529 | erk000530)
Show SMILES CC[N@@H+]1CCC[C@H]1CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H32N6O2/c1-3-31-11-7-10-20(31)15-28-25-27-13-17(2)23(30-25)19-12-21(26-14-19)24(33)29-22(16-32)18-8-5-4-6-9-18/h4-6,8-9,12-14,20,22,26,32H,3,7,10-11,15-16H2,1-2H3,(H,29,33)(H,27,28,30)/p+1/t20-,22+/m0/s1
Affinity DataKi:  60nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
CSAR

LigandPNGBDBM92098(erk000529 | erk000530)
Show SMILES CC[N@@H+]1CCC[C@H]1CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H32N6O2/c1-3-31-11-7-10-20(31)15-28-25-27-13-17(2)23(30-25)19-12-21(26-14-19)24(33)29-22(16-32)18-8-5-4-6-9-18/h4-6,8-9,12-14,20,22,26,32H,3,7,10-11,15-16H2,1-2H3,(H,29,33)(H,27,28,30)/p+1/t20-,22+/m0/s1
Affinity DataKi:  60.3nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
CSAR

LigandPNGBDBM92098(erk000529 | erk000530)
Show SMILES CC[N@@H+]1CCC[C@H]1CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H32N6O2/c1-3-31-11-7-10-20(31)15-28-25-27-13-17(2)23(30-25)19-12-21(26-14-19)24(33)29-22(16-32)18-8-5-4-6-9-18/h4-6,8-9,12-14,20,22,26,32H,3,7,10-11,15-16H2,1-2H3,(H,29,33)(H,27,28,30)/p+1/t20-,22+/m0/s1
Affinity DataKi:  110nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
CSAR

LigandPNGBDBM92098(erk000529 | erk000530)
Show SMILES CC[N@@H+]1CCC[C@H]1CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H32N6O2/c1-3-31-11-7-10-20(31)15-28-25-27-13-17(2)23(30-25)19-12-21(26-14-19)24(33)29-22(16-32)18-8-5-4-6-9-18/h4-6,8-9,12-14,20,22,26,32H,3,7,10-11,15-16H2,1-2H3,(H,29,33)(H,27,28,30)/p+1/t20-,22+/m0/s1
Affinity DataKi:  110nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed