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BDBM50023498 2-(5-Bromo-furan-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::CHEMBL7266

SMILES: Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1

InChI Key: InChIKey=QGBHBAZUMLQTSK-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50023498   
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 receptor A3


(Homo sapiens (human))
BDBM50023498
PNG
(2-(5-Bromo-furan-2-yl)-9-chloro-[1,2,4]triazolo[1,...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
Show InChI InChI=1S/C13H7BrClN5O/c14-10-4-3-9(21-10)11-18-12-7-5-6(15)1-2-8(7)17-13(16)20(12)19-11/h1-5H,(H2,16,17)
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Article
PubMed
64n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.


J Med Chem 39: 4142-8 (1996)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50023498
PNG
(2-(5-Bromo-furan-2-yl)-9-chloro-[1,2,4]triazolo[1,...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
Show InChI InChI=1S/C13H7BrClN5O/c14-10-4-3-9(21-10)11-18-12-7-5-6(15)1-2-8(7)17-13(16)20(12)19-11/h1-5H,(H2,16,17)
PDB

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PubMed
n/an/a 1.57E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor from rat cerebral cortex membranes using [3H]-¿-PIA


J Med Chem 39: 4142-8 (1996)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50023498
PNG
(2-(5-Bromo-furan-2-yl)-9-chloro-[1,2,4]triazolo[1,...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
Show InChI InChI=1S/C13H7BrClN5O/c14-10-4-3-9(21-10)11-18-12-7-5-6(15)1-2-8(7)17-13(16)20(12)19-11/h1-5H,(H2,16,17)
PDB

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n/an/a 1.57E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50023498
PNG
(2-(5-Bromo-furan-2-yl)-9-chloro-[1,2,4]triazolo[1,...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)o1
Show InChI InChI=1S/C13H7BrClN5O/c14-10-4-3-9(21-10)11-18-12-7-5-6(15)1-2-8(7)17-13(16)20(12)19-11/h1-5H,(H2,16,17)
PDB
MMDB

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B.MOAD
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PC cid
PC sid
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Article
PubMed
n/an/a 531n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2A receptor from rat striatal membranes using [3H]-CGH 21680


J Med Chem 39: 4142-8 (1996)

More data for this
Ligand-Target Pair