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BDBM50125910 1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL22113

SMILES: COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1

InChI Key: InChIKey=GJFVCSIWUJNFMJ-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50125910   
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))
BDBM50125910
PNG
(1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)
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PubMed
3.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


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


J Med Chem 46: 1229-41 (2003)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50125910
PNG
(1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)
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24n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPCPX from human adenosine A2B receptor expressed in HEK293 cells


J Med Chem 46: 1229-41 (2003)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50125910
PNG
(1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)
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70n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPCPX binding at human Adenosine A1 receptor expressed in CHO cells


J Med Chem 46: 1229-41 (2003)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50125910
PNG
(1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)
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212n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- MRE 308F20 binding from human Adenosine A3 receptor expressed in CHO cells


J Med Chem 46: 1229-41 (2003)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50125910
PNG
(1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)
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n/an/a 813n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity as inhibition of cAMP generation after agonist-modulation of Adenosine A3 receptor with 100 nM CI-IB-MECA


J Med Chem 46: 1229-41 (2003)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50125910
PNG
(1-(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyraz...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H18N8O3S/c1-27-18(32-3)14-16(25-27)23-19(24-20(29)21-11-6-8-12(30-2)9-7-11)28-17(14)22-15(26-28)13-5-4-10-31-13/h4-10H,1-3H3,(H2,21,23,24,25,29)
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n/an/a 17.5n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity as inhibition of cAMP generation after agonist-modulation of human Adenosine A2A receptor with 100 nM NECA


J Med Chem 46: 1229-41 (2003)

More data for this
Ligand-Target Pair