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BDBM50053923 CHEMBL318251::N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-acetamide::N-(9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)acetamide

SMILES: CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=XVUXPVPCALOADS-UHFFFAOYSA-N

Data: 4 KI  1 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 = 50053923   
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))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
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Article
PubMed
13.9n/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 receptor A3


(Homo sapiens (human))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
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PubMed
13.9n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
PDB
MMDB

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36.3n/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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
PDB

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52.2n/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 receptor A2b


(Homo sapiens (Human))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
NCI pathway
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PubMed
n/an/a 2.65E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 50 uM 5`-(N-ethylcarboxamido)adenosine induced cAMP production in CHO cell line expressing human Adenosine A2B receptor


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair