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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine Kinase (AK)' and Ligand = 'BDBM50095358'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50095358
PNG
(7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h3-13H,1-2H3,(H2,22,23,24,25)
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Adenosine kinase (AK)


J Med Chem 44: 2133-8 (2001)


Article DOI: 10.1021/jm000314x
BindingDB Entry DOI: 10.7270/Q25D8R47
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50095358
PNG
(7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h3-13H,1-2H3,(H2,22,23,24,25)
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition adenosine kinase activity in rat brain in vitro


J Med Chem 46: 5249-57 (2003)


Article DOI: 10.1021/jm030327l
BindingDB Entry DOI: 10.7270/Q2W66K6R
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50095358
PNG
(7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]p...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
Show InChI InChI=1S/C21H19N5/c1-26(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)19-20(22)23-13-24-21(19)25-18/h3-13H,1-2H3,(H2,22,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay


Bioorg Med Chem Lett 11: 83-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00602-8
BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair