BindingDB logo
myBDB logout

BDBM50073755 4-[6-(3-Chloro-phenylamino)-9-ethyl-9H-purin-2-ylamino]-cyclohexanol::CHEMBL177057

SMILES: CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](O)CC3)nc12

InChI Key: InChIKey=YUCMWAUBTFDJIZ-OTVXOJSOSA-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 = 50073755   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50073755
PNG
(4-[6-(3-Chloro-phenylamino)-9-ethyl-9H-purin-2-yla...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](O)CC3)nc12
Show InChI InChI=1S/C19H23ClN6O/c1-2-26-11-21-16-17(22-14-5-3-4-12(20)10-14)24-19(25-18(16)26)23-13-6-8-15(27)9-7-13/h3-5,10-11,13,15,27H,2,6-9H2,1H3,(H2,22,23,24,25)/t13-,15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1, CDK1-related human bladder carcinoma (T24) cell protliferation


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair