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BDBM50113738 2-[1-(6-Benzylamino-9-isopropyl-9H-purin-2-yl)-piperidin-2-yl]-ethanol::CHEMBL76592

SMILES: CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCCCC1CCO

InChI Key: InChIKey=IEUVSECKUQECNQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113738   
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))
BDBM50113738
PNG
(2-[1-(6-Benzylamino-9-isopropyl-9H-purin-2-yl)-pip...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C22H30N6O/c1-16(2)28-15-24-19-20(23-14-17-8-4-3-5-9-17)25-22(26-21(19)28)27-12-7-6-10-18(27)11-13-29/h3-5,8-9,15-16,18,29H,6-7,10-14H2,1-2H3,(H,23,25,26)
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 1.60E+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