Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) for PDB: 1UNG
TargetCyclin-dependent kinase 5 activator 1 [99-307](Homo sapiens (Human))
Faculte de Medecine et de Pharmacie

LigandPNGBDBM7377(4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...)
Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)
Affinity DataIC50: 200nMT: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 5(Homo sapiens (Human))
CNRS USR-3151

Curated by ChEMBL
LigandPNGBDBM7377(4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...)
Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)
Affinity DataIC50: 200nMAssay Description:Inhibition of GST-fused recombinant CDK5/p25 expressed in Escherichia coli after 30 mins by scintillation countingMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
European Institute of Oncology

Curated by ChEMBL
LigandPNGBDBM7377(4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...)
Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)
Affinity DataIC50: 200nMAssay Description:Inhibition of cyclin-dependent kinase 5/p25; range 0.16-0.2More data for this Ligand-Target Pair