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BDBM50083922 3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazin-4-one::CHEMBL7113

SMILES: O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1

InChI Key: InChIKey=FGCPYWNQYLRWCH-UHFFFAOYSA-N

Data: 7 KI  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50083922   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine A1 receptor


(BOVINE)
BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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85n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes


J Med Chem 44: 316-27 (2001)


Article DOI: 10.1021/jm001054m
BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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141n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor using [3H]DPCPX from bovine cortical membranes without GTP


J Med Chem 44: 316-27 (2001)


Article DOI: 10.1021/jm001054m
BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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197n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes with 1 mM GTP


J Med Chem 44: 316-27 (2001)


Article DOI: 10.1021/jm001054m
BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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728n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 55: 1490-9 (2012)


Article DOI: 10.1021/jm201177b
BindingDB Entry DOI: 10.7270/Q2CR5VCS
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
PDB
MMDB

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PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane


J Med Chem 44: 316-27 (2001)


Article DOI: 10.1021/jm001054m
BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 55: 1490-9 (2012)


Article DOI: 10.1021/jm201177b
BindingDB Entry DOI: 10.7270/Q2CR5VCS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


J Med Chem 55: 1490-9 (2012)


Article DOI: 10.1021/jm201177b
BindingDB Entry DOI: 10.7270/Q2CR5VCS
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation


J Med Chem 55: 1490-9 (2012)


Article DOI: 10.1021/jm201177b
BindingDB Entry DOI: 10.7270/Q2CR5VCS
More data for this
Ligand-Target Pair