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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 = 'BDBM50113721'   
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))
BDBM50113721
PNG
(1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3[C@@H](O)Cc4ccccc34)nc12
Show InChI InChI=1S/C23H23ClN6O/c1-13(2)30-12-25-20-21(26-16-8-5-7-15(24)11-16)28-23(29-22(20)30)27-19-17-9-4-3-6-14(17)10-18(19)31/h3-9,11-13,18-19,31H,10H2,1-2H3,(H2,26,27,28,29)/t18-,19?/m0/s1
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n/an/a 3.00E+5n/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