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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 5' and Ligand = 'BDBM50093389'   
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


(Homo sapiens (Human))
BDBM50093389
PNG
(4-(6-Butylamino-9-isopropyl-9H-purin-2-yl)-2-methy...)
Show SMILES CCCCNc1nc(nc2n(cnc12)C(C)C)C#CC(C)(O)Cc1ccccc1
Show InChI InChI=1S/C23H29N5O/c1-5-6-14-24-21-20-22(28(16-25-20)17(2)3)27-19(26-21)12-13-23(4,29)15-18-10-8-7-9-11-18/h7-11,16-17,29H,5-6,14-15H2,1-4H3,(H,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 340n/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