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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 = 'BDBM7103'   
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))
BDBM7103
PNG
(1-(4-{1-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCC(C(N)=O)C1=O
Show InChI InChI=1S/C20H23N5O3/c1-11(19(27)22-17-10-16(23-24-17)13-2-3-13)12-4-6-14(7-5-12)25-9-8-15(18(21)26)20(25)28/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H2,21,26)(H2,22,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair