Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM92165'
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92165(erk000616)
Show SMILES COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2ccccc2)c1OC
Show InChI InChI=1S/C26H27N5O4/c1-16-13-28-26(30-19-10-7-11-22(34-2)24(19)35-3)31-23(16)18-12-20(27-14-18)25(33)29-21(15-32)17-8-5-4-6-9-17/h4-14,21,27,32H,15H2,1-3H3,(H,29,33)(H,28,30,31)/t21-/m1/s1
Affinity DataKi:  2nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92165(erk000616)
Show SMILES COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2ccccc2)c1OC
Show InChI InChI=1S/C26H27N5O4/c1-16-13-28-26(30-19-10-7-11-22(34-2)24(19)35-3)31-23(16)18-12-20(27-14-18)25(33)29-21(15-32)17-8-5-4-6-9-17/h4-14,21,27,32H,15H2,1-3H3,(H,29,33)(H,28,30,31)/t21-/m1/s1
Affinity DataKi:  2nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed