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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 5 (CDK5)' and Ligand = 'BDBM50161396'   
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 (CDK5)


(Homo sapiens (Human))
BDBM50161396
PNG
(CHEMBL3785795)
Show SMILES COc1cc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc2ccccc12
Show InChI InChI=1/C23H22N4O3/c1-30-19-13-20(24-16-9-3-2-7-14(16)19)26-23(29)25-17-10-6-8-15-21(17)18-11-4-5-12-27(18)22(15)28/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H2,24,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 150n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair