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BDBM50095358 7-(4-Dimethylamino-phenyl)-5-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine::CHEMBL68492

SMILES: CN(C)c1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1

InChI Key: InChIKey=VQHJJHAACJKZCA-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50095358   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
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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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)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
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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n/an/a 467n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells.


J Med Chem 44: 2133-8 (2001)


BindingDB Entry DOI: 10.7270/Q25D8R47
More data for this
Ligand-Target Pair
Adenosine kinase


(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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n/an/a 7n/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)


BindingDB Entry DOI: 10.7270/Q2PC31NP
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
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
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Article
PubMed
n/an/a 467n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells


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)
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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
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Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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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)


BindingDB Entry DOI: 10.7270/Q25D8R47
More data for this
Ligand-Target Pair