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BDBM50113689 2-[6-(2-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol::CHEMBL307367

SMILES: CC(C)n1cnc2c(Nc3ccccc3Cl)nc(NCCO)nc12

InChI Key: InChIKey=FTCYMPRTCIAHFK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113689   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113689
PNG
(2-[6-(2-Chloro-phenylamino)-9-isopropyl-9H-purin-2...)
Show SMILES CC(C)n1cnc2c(Nc3ccccc3Cl)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-6-4-3-5-11(12)17)21-16(18-7-8-24)22-15(13)23/h3-6,9-10,24H,7-8H2,1-2H3,(H2,18,20,21,22)
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n/an/a 4.30E+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