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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 2 (CDK2)' and Ligand = 'BDBM6358'   
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 2 (CDK2)


(Homo sapiens (Human))
BDBM6358
PNG
(8-Cyclopentyl-2-(4-piperazin-1-yl-phenylamino)-8H-...)
Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C22H26N6O/c29-20-10-5-16-15-24-22(26-21(16)28(20)19-3-1-2-4-19)25-17-6-8-18(9-7-17)27-13-11-23-12-14-27/h5-10,15,19,23H,1-4,11-14H2,(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 24n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 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