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BDBM50113699 2-{1-[9-Isopropyl-6-(2-phenylamino-ethylamino)-9H-purin-2-yl]-piperidin-2-yl}-ethanol::CHEMBL79491

SMILES: CC(C)n1cnc2c(NCCNc3ccccc3)nc(nc12)N1CCCCC1CCO

InChI Key: InChIKey=QVRZMAQQVHGQMR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113699   
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))
BDBM50113699
PNG
(2-{1-[9-Isopropyl-6-(2-phenylamino-ethylamino)-9H-...)
Show SMILES CC(C)n1cnc2c(NCCNc3ccccc3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C23H33N7O/c1-17(2)30-16-26-20-21(25-13-12-24-18-8-4-3-5-9-18)27-23(28-22(20)30)29-14-7-6-10-19(29)11-15-31/h3-5,8-9,16-17,19,24,31H,6-7,10-15H2,1-2H3,(H,25,27,28)
PDB

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PC cid
PC sid
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PubMed
n/an/a 1.50E+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