new BindingDB logo
myBDB logout

BDBM50113756 2-[9-Isopropyl-6-(3-trifluoromethyl-phenylamino)-9H-purin-2-ylamino]-ethanol::CHEMBL79329

SMILES: CC(C)n1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(NCCO)nc12

InChI Key: InChIKey=KSFAQCBPJOGDRM-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 = 50113756   
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))
BDBM50113756
PNG
(2-[9-Isopropyl-6-(3-trifluoromethyl-phenylamino)-9...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(NCCO)nc12
Show InChI InChI=1S/C17H19F3N6O/c1-10(2)26-9-22-13-14(24-16(21-6-7-27)25-15(13)26)23-12-5-3-4-11(8-12)17(18,19)20/h3-5,8-10,27H,6-7H2,1-2H3,(H2,21,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 4.20E+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