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BDBM21213 2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine::2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]pyridine::2-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]pyridine::CHEMBL260311::triazole-dipyridine, A

InChI string: InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)

SMILES: c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1

InChI Key: InChIKey=TUASFNZQWJGIHZ-UHFFFAOYSA-N

Data: 6 KI  2 IC50  1 EC50

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 9 hits for monomerid = 21213   
Target
(Institution)
LigandTarget
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 receptor A3


(Homo sapiens (human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
PDB
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PubMed
>1.00E+4>-6.82n/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
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>1.00E+4>-6.82n/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
PDB

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



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)

More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
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PubMed
>1.00E+4>-6.82n/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
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PCBioAssay
n/an/an/an/a 2.64E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
RNA polymerase beta subunit (EC 2.7.7.6)


(Escherichia coli)
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17)
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PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair