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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 = 'BDBM50261205'   
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))
BDBM50261205
PNG
(CHEMBL4091107)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(F)cc3)ncnc12 |r,wU:12.15,10.10,(29.02,-22.38,;27.93,-23.46,;26.44,-23.06,;25.35,-24.16,;25.75,-25.64,;27.24,-26.04,;28.33,-24.95,;27.64,-27.52,;29.15,-27.85,;26.61,-28.67,;25.1,-28.35,;23.81,-29.19,;22.97,-27.9,;24.26,-27.06,;21.47,-27.58,;20.84,-26.17,;19.31,-26.33,;18.99,-27.84,;17.65,-28.61,;16.32,-27.84,;14.99,-28.61,;13.66,-27.84,;12.32,-28.61,;10.99,-27.84,;10.99,-26.3,;9.65,-25.53,;12.32,-25.53,;13.66,-26.3,;17.65,-30.15,;18.99,-30.92,;20.32,-30.15,;20.32,-28.61,)|
Show InChI InChI=1S/C23H22FN7O/c1-14-3-2-4-19(29-14)23(32)30-17-9-18(10-17)31-13-28-20-21(26-12-27-22(20)31)25-11-15-5-7-16(24)8-6-15/h2-8,12-13,17-18H,9-11H2,1H3,(H,30,32)(H,25,26,27)/t17-,18+
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Similars

Article
PubMed
n/an/a 30n/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