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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50113700   
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))
BDBM50113700
PNG
(2-[1-(9-Isopropyl-6-phenylamino-9H-purin-2-yl)-pip...)
Show SMILES CC(C)n1cnc2c(Nc3ccccc3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C21H28N6O/c1-15(2)27-14-22-18-19(23-16-8-4-3-5-9-16)24-21(25-20(18)27)26-12-7-6-10-17(26)11-13-28/h3-5,8-9,14-15,17,28H,6-7,10-13H2,1-2H3,(H,23,24,25)
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n/an/a 1.30E+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