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BDBM50064696 7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-(3-Benzo[1,3]dioxol-5-yl-propyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL307748

SMILES: Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=ULSNKDYWRFKLBP-UHFFFAOYSA-N

Data: 8 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 9 hits for monomerid = 50064696   
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))
BDBM50064696
PNG
(7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)
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3.30n/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 A2a


(Homo sapiens (human))
BDBM50064696
PNG
(7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)
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3.30n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50064696
PNG
(7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)
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3.80n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50064696
PNG
(7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)
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1.84E+3n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from rat cortical membrane Adenosine A1 receptor. Parenthesis indicate 95% confidence limit.


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064696
PNG
(7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)
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2.17E+3n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from human Adenosine A1 receptor expressed in CHO cells


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064696
PNG
(7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)
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>1.00E+4n/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 A3


(Homo sapiens (human))
BDBM50064696
PNG
(7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064696
PNG
(7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064696
PNG
(7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24)
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n/an/a 8n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of 1 uM NECA-stimulated cyclic AMP levels in human platelets


J Med Chem 41: 2126-33 (1998)


Article DOI: 10.1021/jm9708689
BindingDB Entry DOI: 10.7270/Q2251H9K
More data for this
Ligand-Target Pair