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BDBM50113741 2-{1-[9-Isopropyl-6-(3-phenyl-propylamino)-9H-purin-2-yl]-piperidin-2-yl}-ethanol::CHEMBL80701

SMILES: CC(C)n1cnc2c(NCCCc3ccccc3)nc(nc12)N1CCCCC1CCO

InChI Key: InChIKey=HDUUTDGTSLJCBL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113741   
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))
BDBM50113741
PNG
(2-{1-[9-Isopropyl-6-(3-phenyl-propylamino)-9H-puri...)
Show SMILES CC(C)n1cnc2c(NCCCc3ccccc3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C24H34N6O/c1-18(2)30-17-26-21-22(25-14-8-11-19-9-4-3-5-10-19)27-24(28-23(21)30)29-15-7-6-12-20(29)13-16-31/h3-5,9-10,17-18,20,31H,6-8,11-16H2,1-2H3,(H,25,27,28)
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PC cid
PC sid
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PubMed
n/an/a 1.30E+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