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BDBM50065765 CHEMBL98828::[5-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylcarbamoyl)-pentyl]-carbamic acid tert-butyl ester

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

InChI Key: InChIKey=AXNAZVNXRUWDTF-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50065765   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50065765
PNG
(CHEMBL98828 | [5-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C24H27ClN6O4/c1-24(2,3)35-23(33)26-12-6-4-5-9-19(32)28-22-27-17-11-10-15(25)14-16(17)21-29-20(30-31(21)22)18-8-7-13-34-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,33)(H,27,28,32)
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Article
PubMed
33.7n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680


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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50065765
PNG
(CHEMBL98828 | [5-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C24H27ClN6O4/c1-24(2,3)35-23(33)26-12-6-4-5-9-19(32)28-22-27-17-11-10-15(25)14-16(17)21-29-20(30-31(21)22)18-8-7-13-34-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,33)(H,27,28,32)
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PubMed
33.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50065765
PNG
(CHEMBL98828 | [5-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C24H27ClN6O4/c1-24(2,3)35-23(33)26-12-6-4-5-9-19(32)28-22-27-17-11-10-15(25)14-16(17)21-29-20(30-31(21)22)18-8-7-13-34-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,33)(H,27,28,32)
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PubMed
53.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat brain adenosine A1 receptor vs [3H]-R-PIA


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