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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50379490'   
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 1


(Homo sapiens (Human))
BDBM50379490
PNG
(CHEMBL2012399)
Show SMILES Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O
Show InChI InChI=1S/C18H23N7O/c1-24-11-13(8-15(24)16(19)26)22-18-20-9-12-10-21-25(17(12)23-18)14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H2,19,26)(H,20,22,23)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 22: 2070-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.019
BindingDB Entry DOI: 10.7270/Q2833T1N
More data for this
Ligand-Target Pair