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BDBM50053932 9-Chloro-2-furan-2-yl-6-propyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one::CHEMBL97383

SMILES: CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1

InChI Key: InChIKey=DCQBBFVVPPBJRT-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50053932   
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))
BDBM50053932
PNG
(9-Chloro-2-furan-2-yl-6-propyl-6H-[1,2,4]triazolo[...)
Show SMILES CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1
Show InChI InChI=1S/C16H13ClN4O2/c1-2-7-20-12-6-5-10(17)9-11(12)15-18-14(13-4-3-8-23-13)19-21(15)16(20)22/h3-6,8-9H,2,7H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
1.81E+3n/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 A1


(Rattus norvegicus (rat))
BDBM50053932
PNG
(9-Chloro-2-furan-2-yl-6-propyl-6H-[1,2,4]triazolo[...)
Show SMILES CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1
Show InChI InChI=1S/C16H13ClN4O2/c1-2-7-20-12-6-5-10(17)9-11(12)15-18-14(13-4-3-8-23-13)19-21(15)16(20)22/h3-6,8-9H,2,7H2,1H3
PDB

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PC sid
UniChem

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Article
PubMed
1.85E+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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053932
PNG
(9-Chloro-2-furan-2-yl-6-propyl-6H-[1,2,4]triazolo[...)
Show SMILES CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1
Show InChI InChI=1S/C16H13ClN4O2/c1-2-7-20-12-6-5-10(17)9-11(12)15-18-14(13-4-3-8-23-13)19-21(15)16(20)22/h3-6,8-9H,2,7H2,1H3
PDB
MMDB

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Article
PubMed
6.96E+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