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BDBM50298527 5-[(2-Thienylmethyl)carbonyl]amino-8-n-butyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL574489

SMILES: CCCCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1

InChI Key: InChIKey=RGMFJNIWCNZAIC-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50298527   
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 A2a


(Homo sapiens (Human))
BDBM50298527
PNG
(5-[(2-Thienylmethyl)carbonyl]amino-8-n-butyl-2-(2-...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H19N7O2S/c1-2-3-8-26-12-14-17(24-26)23-20(21-16(28)11-13-6-5-10-30-13)27-19(14)22-18(25-27)15-7-4-9-29-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,21,23,24,28)
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Article
PubMed
4.15n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50298527
PNG
(5-[(2-Thienylmethyl)carbonyl]amino-8-n-butyl-2-(2-...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H19N7O2S/c1-2-3-8-26-12-14-17(24-26)23-20(21-16(28)11-13-6-5-10-30-13)27-19(14)22-18(25-27)15-7-4-9-29-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,21,23,24,28)
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Article
PubMed
70.1n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50298527
PNG
(5-[(2-Thienylmethyl)carbonyl]amino-8-n-butyl-2-(2-...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H19N7O2S/c1-2-3-8-26-12-14-17(24-26)23-20(21-16(28)11-13-6-5-10-30-13)27-19(14)22-18(25-27)15-7-4-9-29-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,21,23,24,28)
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PubMed
99.8n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


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


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50298527
PNG
(5-[(2-Thienylmethyl)carbonyl]amino-8-n-butyl-2-(2-...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Cc1cccs1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H19N7O2S/c1-2-3-8-26-12-14-17(24-26)23-20(21-16(28)11-13-6-5-10-30-13)27-19(14)22-18(25-27)15-7-4-9-29-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,21,23,24,28)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activity


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair