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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 4 (CDK4)' and Ligand = 'BDBM6276'   
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 (CDK4)


(Homo sapiens (Human))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/a7.425



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6276
PNG
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 43: 4606-16 (2000)


Article DOI: 10.1021/jm000271k
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair