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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 5 activator 1' and Ligand = 'BDBM50261167'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50261167
PNG
(CHEMBL4105016)
Show SMILES O=C(N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12)c1cccc(n1)-c1ccccc1 |r,wU:5.7,3.2,(29.63,-26.83,;28.12,-26.52,;27.09,-27.66,;25.59,-27.34,;24.29,-28.19,;23.45,-26.89,;24.74,-26.05,;21.95,-26.58,;21.32,-25.17,;19.78,-25.33,;19.46,-26.84,;18.13,-27.61,;16.8,-26.84,;15.47,-27.61,;14.13,-26.84,;12.8,-27.62,;11.47,-26.85,;11.47,-25.31,;12.8,-24.54,;14.13,-25.3,;18.13,-29.15,;19.47,-29.92,;20.81,-29.15,;20.81,-27.61,;27.72,-25.03,;26.23,-24.63,;25.83,-23.15,;26.92,-22.06,;28.41,-22.45,;28.8,-23.94,;29.49,-21.36,;29.09,-19.88,;30.18,-18.79,;31.67,-19.18,;32.06,-20.67,;30.98,-21.76,)|
Show InChI InChI=1S/C27H24N8O/c36-27(23-10-4-9-22(34-23)19-7-2-1-3-8-19)33-20-12-21(13-20)35-17-32-24-25(30-16-31-26(24)35)29-15-18-6-5-11-28-14-18/h1-11,14,16-17,20-21H,12-13,15H2,(H,33,36)(H,29,30,31)/t20-,21+
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Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay


Bioorg Med Chem Lett 27: 4399-4404 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.018
BindingDB Entry DOI: 10.7270/Q2W66P60
More data for this
Ligand-Target Pair