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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 5 (CDK5)' and Ligand = 'BDBM50399301'   
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))
BDBM50399301
PNG
(CHEMBL2180862)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H18N4O2/c23-17-12-6-5-7-13(16(12)14-8-2-4-11-22(14)17)20-18(24)21-15-9-1-3-10-19-15/h1,3,5-7,9-10,14H,2,4,8,11H2,(H2,19,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 70n/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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399301
PNG
(CHEMBL2180862)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H18N4O2/c23-17-12-6-5-7-13(16(12)14-8-2-4-11-22(14)17)20-18(24)21-15-9-1-3-10-19-15/h1,3,5-7,9-10,14H,2,4,8,11H2,(H2,19,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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 and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair