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BDBM50094692 1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea::CHEMBL141550

SMILES: Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1

InChI Key: InChIKey=DWZXGZAHYQTPLP-UHFFFAOYSA-N

Data: 10 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 11 hits for monomerid = 50094692   
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))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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0.190n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.13-0.27


J Med Chem 43: 4768-80 (2000)


BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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0.190n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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0.190n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3]-MRE-3008F20 from human Adenosine A3 receptor expressed in CHO cells


J Med Chem 45: 770-80 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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8.10n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells; range 6.9-9.7


J Med Chem 43: 4768-80 (2000)


BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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8.10n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


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


J Med Chem 45: 770-80 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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9.5n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-58,261 from human Adenosine A2A receptor expressed in CHO cells


J Med Chem 45: 770-80 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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9.5n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 8.7-10.5


J Med Chem 43: 4768-80 (2000)


BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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30n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells; range 23-40


J Med Chem 43: 4768-80 (2000)


BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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30n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK-293 cells


J Med Chem 45: 770-80 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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190n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094692
PNG
(1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)
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n/an/a 2.40n/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor


J Med Chem 43: 4768-80 (2000)


BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair