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BDBM50113715 CHEMBL309495::N*6*-(3-Chloro-phenyl)-N*2*-(2-dimethylamino-ethyl)-9-isopropyl-9H-purine-2,6-diamine

SMILES: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCN(C)C)nc12

InChI Key: InChIKey=JDSWEFRMUMFAIZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113715   
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))
BDBM50113715
PNG
(CHEMBL309495 | N*6*-(3-Chloro-phenyl)-N*2*-(2-dime...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCN(C)C)nc12
Show InChI InChI=1S/C18H24ClN7/c1-12(2)26-11-21-15-16(22-14-7-5-6-13(19)10-14)23-18(24-17(15)26)20-8-9-25(3)4/h5-7,10-12H,8-9H2,1-4H3,(H2,20,22,23,24)
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PC cid
PC sid
UniChem
PubMed
n/an/a 4.40E+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