Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM92038'
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92038(erk000444)
Show SMILES Cc1cnc(NCC(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H20F3N5O2/c1-12-8-25-19(26-11-20(21,22)23)28-17(12)14-7-15(24-9-14)18(30)27-16(10-29)13-5-3-2-4-6-13/h2-9,16,24,29H,10-11H2,1H3,(H,27,30)(H,25,26,28)/t16-/m1/s1
Affinity DataKi:  5nMAssay Description:Photometric_Method2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
D3R

LigandPNGBDBM92038(erk000444)
Show SMILES Cc1cnc(NCC(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C20H20F3N5O2/c1-12-8-25-19(26-11-20(21,22)23)28-17(12)14-7-15(24-9-14)18(30)27-16(10-29)13-5-3-2-4-6-13/h2-9,16,24,29H,10-11H2,1H3,(H,27,30)(H,25,26,28)/t16-/m1/s1
Affinity DataKi:  5nMAssay Description:Assay 1 ...More data for this Ligand-Target Pair
In DepthDetails PubMed