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BDBM50113731 2-[9-Isopropyl-6-(3-methoxy-phenylamino)-9H-purin-2-ylamino]-ethanol::CHEMBL311741

SMILES: COc1cccc(Nc2nc(NCCO)nc3n(cnc23)C(C)C)c1

InChI Key: InChIKey=RBVSEGCZYJQFHY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113731   
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))
BDBM50113731
PNG
(2-[9-Isopropyl-6-(3-methoxy-phenylamino)-9H-purin-...)
Show SMILES COc1cccc(Nc2nc(NCCO)nc3n(cnc23)C(C)C)c1
Show InChI InChI=1S/C17H22N6O2/c1-11(2)23-10-19-14-15(20-12-5-4-6-13(9-12)25-3)21-17(18-7-8-24)22-16(14)23/h4-6,9-11,24H,7-8H2,1-3H3,(H2,18,20,21,22)
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n/an/a 4.00E+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