BindingDB logo
myBDB logout

BDBM50113687 2-{1-[6-(4-Chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-piperidin-2-yl}-ethanol::CHEMBL419094

SMILES: CC(C)n1cnc2c(Nc3ccc(Cl)cc3)nc(nc12)N1CCCCC1CCO

InChI Key: InChIKey=CMZCHRPQVPCQAP-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113687   
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))
BDBM50113687
PNG
(2-{1-[6-(4-Chloro-phenylamino)-9-isopropyl-9H-puri...)
Show SMILES CC(C)n1cnc2c(Nc3ccc(Cl)cc3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C21H27ClN6O/c1-14(2)28-13-23-18-19(24-16-8-6-15(22)7-9-16)25-21(26-20(18)28)27-11-4-3-5-17(27)10-12-29/h6-9,13-14,17,29H,3-5,10-12H2,1-2H3,(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.90E+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