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BDBM50113753 2-{4-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-piperazin-1-yl}-ethanol::CHEMBL78227

SMILES: COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCN(CCO)CC2)cc1

InChI Key: InChIKey=BUMYEVXLCMSBRE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113753   
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))
BDBM50113753
PNG
(2-{4-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-pur...)
Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C22H31N7O2/c1-16(2)29-15-24-19-20(23-14-17-4-6-18(31-3)7-5-17)25-22(26-21(19)29)28-10-8-27(9-11-28)12-13-30/h4-7,15-16,30H,8-14H2,1-3H3,(H,23,25,26)
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PC cid
PC sid
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PubMed
n/an/a 7.00E+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