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BDBM50008874 9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one::CHEMBL414023

SMILES: Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1

InChI Key: InChIKey=XEVZWKHGVYHGAM-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50008874   
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 A1


(Rattus norvegicus (rat))
BDBM50008874
PNG
(9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)
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PubMed
n/an/a 1.00E+4n/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.


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50008874
PNG
(9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)
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3.95E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-¿-PIA from Adenosine A1 receptor of rat cerebral cortex membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50008874
PNG
(9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50008874
PNG
(9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)
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260n/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)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50008874
PNG
(9-Chloro-2-furan-2-yl-6H-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1ccc2[nH]c(=O)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C13H7ClN4O2/c14-7-3-4-9-8(6-7)12-16-11(10-2-1-5-20-10)17-18(12)13(19)15-9/h1-6H,(H,15,19)
PDB
MMDB

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Article
PubMed
4.38E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair