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6 similar compounds to monomer 50097423

Compile data set for download or QSAR
Wt: 281.3
BDBM50097440
Purchase
Wt: 295.3
BDBM50097436
Purchase
Wt: 297.3
BDBM50097451
Wt: 355.3
BDBM50097452
Wt: 325.3
BDBM50097455
Wt: 249.2
BDBM50397729

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50097440,50097436,50097451,50097452,50097455,50397729   
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))
BDBM50397729
PNG
(CHEMBL2181975)
Show SMILES COc1ccc(cc1)-c1nsc(NC(C)=O)n1
Show InChI InChI=1S/C11H11N3O2S/c1-7(15)12-11-13-10(14-17-11)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,12,13,14,15)
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0.790n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50097451
PNG
(4-Hydroxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...)
Show SMILES Oc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C15H11N3O2S/c19-12-8-6-11(7-9-12)14(20)17-15-16-13(18-21-15)10-4-2-1-3-5-10/h1-9,19H,(H,16,17,18,20)
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7.30n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50097436
PNG
(4-Methyl-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benza...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15(20)18-16-17-14(19-21-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19,20)
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30n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50097440
PNG
(CHEMBL165783 | N-(3-Phenyl-[1,2,4]thiadiazol-5-yl)...)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H11N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1-10H,(H,16,17,18,19)
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31n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50097452
PNG
(CHEMBL354004 | [4-(3-Phenyl-[1,2,4]thiadiazol-5-yl...)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O4S/c21-14(22)10-24-13-8-6-12(7-9-13)16(23)19-17-18-15(20-25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,18,19,20,23)
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100n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50097451
PNG
(4-Hydroxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...)
Show SMILES Oc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C15H11N3O2S/c19-12-8-6-11(7-9-12)14(20)17-15-16-13(18-21-15)10-4-2-1-3-5-10/h1-9,19H,(H,16,17,18,20)
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130n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


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


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50097436
PNG
(4-Methyl-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benza...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15(20)18-16-17-14(19-21-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19,20)
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140n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


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


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50097440
PNG
(CHEMBL165783 | N-(3-Phenyl-[1,2,4]thiadiazol-5-yl)...)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H11N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1-10H,(H,16,17,18,19)
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410n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


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


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50097451
PNG
(4-Hydroxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...)
Show SMILES Oc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C15H11N3O2S/c19-12-8-6-11(7-9-12)14(20)17-15-16-13(18-21-15)10-4-2-1-3-5-10/h1-9,19H,(H,16,17,18,20)
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570n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 or [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane was determined


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50097455
PNG
(4-Methoxy-3-methyl-N-(3-phenyl-[1,2,4]thiadiazol-5...)
Show SMILES COc1ccc(cc1C)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C17H15N3O2S/c1-11-10-13(8-9-14(11)22-2)16(21)19-17-18-15(20-23-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,19,20,21)
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580n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


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


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50097452
PNG
(CHEMBL354004 | [4-(3-Phenyl-[1,2,4]thiadiazol-5-yl...)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O4S/c21-14(22)10-24-13-8-6-12(7-9-13)16(23)19-17-18-15(20-25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,18,19,20,23)
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1.20E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


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


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50097440
PNG
(CHEMBL165783 | N-(3-Phenyl-[1,2,4]thiadiazol-5-yl)...)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H11N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1-10H,(H,16,17,18,19)
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4.40E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 or [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane was determined


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50397729
PNG
(CHEMBL2181975)
Show SMILES COc1ccc(cc1)-c1nsc(NC(C)=O)n1
Show InChI InChI=1S/C11H11N3O2S/c1-7(15)12-11-13-10(14-17-11)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,12,13,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50397729
PNG
(CHEMBL2181975)
Show SMILES COc1ccc(cc1)-c1nsc(NC(C)=O)n1
Show InChI InChI=1S/C11H11N3O2S/c1-7(15)12-11-13-10(14-17-11)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,12,13,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50397729
PNG
(CHEMBL2181975)
Show SMILES COc1ccc(cc1)-c1nsc(NC(C)=O)n1
Show InChI InChI=1S/C11H11N3O2S/c1-7(15)12-11-13-10(14-17-11)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,12,13,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50097452
PNG
(CHEMBL354004 | [4-(3-Phenyl-[1,2,4]thiadiazol-5-yl...)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O4S/c21-14(22)10-24-13-8-6-12(7-9-13)16(23)19-17-18-15(20-25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,18,19,20,23)
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1.50E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 or [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane was determined


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair