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BDBM50120765 1-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-ylamino)-propan-2-one::CHEMBL146234

SMILES: CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1

InChI Key: InChIKey=VGUQKUXXKQGMDW-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50120765   
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 A1 receptor


(BOVINE)
BDBM50120765
PNG
(1-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-...)
Show SMILES CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
Show InChI InChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19)
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Article
PubMed
12n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50120765
PNG
(1-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-...)
Show SMILES CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
Show InChI InChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19)
PDB

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PC sid
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PubMed
12n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from A1 receptor in bovine cortical membrane


Bioorg Med Chem Lett 27: 3963-3967 (2017)


BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50120765
PNG
(1-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-...)
Show SMILES CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
Show InChI InChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19)
PDB
MMDB

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]- CGS-21,680 from Adenosine A2a receptor in bovine striatal membranes.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50120765
PNG
(1-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-...)
Show SMILES CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
Show InChI InChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from Adenosine A3 receptor in bovine cortical membranes in the presence of 20 nM DPCPX.


J Med Chem 45: 5030-6 (2002)


Article DOI: 10.1021/jm020911e
BindingDB Entry DOI: 10.7270/Q2JH3KHN
More data for this
Ligand-Target Pair