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BDBM50113736 2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-propane-1,3-diol::CHEMBL75795

SMILES: COc1ccc(CNc2nc(NC(CO)CO)nc3n(cnc23)C(C)C)cc1

InChI Key: InChIKey=IMVMADQSQLSXHO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113736   
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))
BDBM50113736
PNG
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)
Show SMILES COc1ccc(CNc2nc(NC(CO)CO)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C19H26N6O3/c1-12(2)25-11-21-16-17(20-8-13-4-6-15(28-3)7-5-13)23-19(24-18(16)25)22-14(9-26)10-27/h4-7,11-12,14,26-27H,8-10H2,1-3H3,(H2,20,22,23,24)
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PC sid
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PubMed
n/an/a 5.60E+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