Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM92210'
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92210(erk000671)
Show SMILES OC[C@@H](NC(=O)c1cc(c[nH]1)-c1ncnc(Nc2ccccc2)n1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-4-5-14(9-16)19(12-30)28-21(31)18-10-15(11-24-18)20-25-13-26-22(29-20)27-17-7-2-1-3-8-17/h1-11,13,19,24,30H,12H2,(H,28,31)(H,25,26,27,29)/t19-/m1/s1
Affinity DataKi:  2nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92210(erk000671)
Show SMILES OC[C@@H](NC(=O)c1cc(c[nH]1)-c1ncnc(Nc2ccccc2)n1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-4-5-14(9-16)19(12-30)28-21(31)18-10-15(11-24-18)20-25-13-26-22(29-20)27-17-7-2-1-3-8-17/h1-11,13,19,24,30H,12H2,(H,28,31)(H,25,26,27,29)/t19-/m1/s1
Affinity DataKi:  2nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed