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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-D1' and Ligand = 'BDBM50501609'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50501609
PNG
(CHEMBL4081497)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
Show InChI InChI=1S/C22H27N7OS/c1-15-20(31-22(25-15)26-16-4-2-3-5-16)18-8-9-23-21(27-18)28-19-7-6-17(14-24-19)29-10-12-30-13-11-29/h6-9,14,16H,2-5,10-13H2,1H3,(H,25,26)(H,23,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay


J Med Chem 60: 1892-1915 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01670
BindingDB Entry DOI: 10.7270/Q29Z97XG
More data for this
Ligand-Target Pair