Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM92046'
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92046(erk000461)
Show SMILES Cc1cnc(NCCO)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H23N5O3/c1-13-10-23-20(21-7-8-26)25-18(13)15-9-16(22-11-15)19(28)24-17(12-27)14-5-3-2-4-6-14/h2-6,9-11,17,22,26-27H,7-8,12H2,1H3,(H,24,28)(H,21,23,25)/t17-/m1/s1
Affinity DataKi:  17nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92046(erk000461)
Show SMILES Cc1cnc(NCCO)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H23N5O3/c1-13-10-23-20(21-7-8-26)25-18(13)15-9-16(22-11-15)19(28)24-17(12-27)14-5-3-2-4-6-14/h2-6,9-11,17,22,26-27H,7-8,12H2,1H3,(H,24,28)(H,21,23,25)/t17-/m1/s1
Affinity DataKi:  17nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed