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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 = 'BDBM7518'   
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))
BDBM7518
PNG
(2,6,9-Trisubstituted purine deriv. 13 | 2-{[6-(ben...)
Show SMILES CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H30N6O/c1-4-5-11-17(13-28)24-21-25-19(22-12-16-9-7-6-8-10-16)18-20(26-21)27(14-23-18)15(2)3/h6-10,14-15,17,28H,4-5,11-13H2,1-3H3,(H2,22,24,25,26)
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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Institut Curie

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5


J Med Chem 43: 4098-108 (2000)


BindingDB Entry DOI: 10.7270/Q24B321Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7518
PNG
(2,6,9-Trisubstituted purine deriv. 13 | 2-{[6-(ben...)
Show SMILES CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H30N6O/c1-4-5-11-17(13-28)24-21-25-19(22-12-16-9-7-6-8-10-16)18-20(26-21)27(14-23-18)15(2)3/h6-10,14-15,17,28H,4-5,11-13H2,1-3H3,(H2,22,24,25,26)
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 2.30E+3n/an/an/an/an/a30



Institut Curie



Assay 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...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1021/jm061035y
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair