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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 = 'BDBM50113701'   
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))
BDBM50113701
PNG
(2-{[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-...)
Show SMILES CCN([C@@H](CO)C(C)C)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H29ClN6O/c1-6-27(17(11-29)13(2)3)21-25-19(24-16-9-7-8-15(22)10-16)18-20(26-21)28(12-23-18)14(4)5/h7-10,12-14,17,29H,6,11H2,1-5H3,(H,24,25,26)/t17-/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair