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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50006512   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500484
PNG
(CHEMBL3745868)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)
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34n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50500487
PNG
(CHEMBL3747370)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1ccoc1
Show InChI InChI=1S/C11H10N2O2S/c14-10(8-3-4-15-5-8)13-11-12-9(6-16-11)7-1-2-7/h3-7H,1-2H2,(H,12,13,14)
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39n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from rat cortical membrane adenosine A1 receptor by gamma-scintillation counting analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500484
PNG
(CHEMBL3745868)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)
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40n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500487
PNG
(CHEMBL3747370)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1ccoc1
Show InChI InChI=1S/C11H10N2O2S/c14-10(8-3-4-15-5-8)13-11-12-9(6-16-11)7-1-2-7/h3-7H,1-2H2,(H,12,13,14)
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105n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500492
PNG
(CHEMBL3746510)
Show SMILES COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc12
Show InChI InChI=1S/C17H12N2O2S2/c1-21-11-6-4-8-13-15(11)18-17(23-13)19-16(20)14-9-10-5-2-3-7-12(10)22-14/h2-9H,1H3,(H,18,19,20)
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110n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500492
PNG
(CHEMBL3746510)
Show SMILES COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc12
Show InChI InChI=1S/C17H12N2O2S2/c1-21-11-6-4-8-13-15(11)18-17(23-13)19-16(20)14-9-10-5-2-3-7-12(10)22-14/h2-9H,1H3,(H,18,19,20)
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120n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500487
PNG
(CHEMBL3747370)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1ccoc1
Show InChI InChI=1S/C11H10N2O2S/c14-10(8-3-4-15-5-8)13-11-12-9(6-16-11)7-1-2-7/h3-7H,1-2H2,(H,12,13,14)
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120n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500490
PNG
(CHEMBL3747100)
Show SMILES O=c1[nH]c(nc2scc(-c3ccco3)c12)-c1ccco1
Show InChI InChI=1S/C14H8N2O3S/c17-13-11-8(9-3-1-5-18-9)7-20-14(11)16-12(15-13)10-4-2-6-19-10/h1-7H,(H,15,16,17)
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138n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM68331
PNG
(N-(1,3-benzothiazol-2-yl)-1-benzothiophene-2-carbo...)
Show SMILES O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1
Show InChI InChI=1S/C16H10N2OS2/c19-15(14-9-10-5-1-3-7-12(10)20-14)18-16-17-11-6-2-4-8-13(11)21-16/h1-9H,(H,17,18,19)
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331n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500490
PNG
(CHEMBL3747100)
Show SMILES O=c1[nH]c(nc2scc(-c3ccco3)c12)-c1ccco1
Show InChI InChI=1S/C14H8N2O3S/c17-13-11-8(9-3-1-5-18-9)7-20-14(11)16-12(15-13)10-4-2-6-19-10/h1-7H,(H,15,16,17)
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347n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM89114
PNG
(MLS-0463381.0001 | N-(5,6-dihydro-4H-cyclopenta[d]...)
Show SMILES O=C(Nc1nc2CCCc2s1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-8-9-4-1-2-6-11(9)19-13)17-15-16-10-5-3-7-12(10)20-15/h1-2,4,6,8H,3,5,7H2,(H,16,17,18)
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380n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500486
PNG
(CHEMBL3745825)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccoc1
Show InChI InChI=1S/C12H10N2O2S/c1-6-7(2)17-12-9(6)11(15)13-10(14-12)8-3-4-16-5-8/h3-5H,1-2H3,(H,13,14,15)
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398n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500485
PNG
(CHEMBL3745803)
Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1
Show InChI InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)
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550n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500491
PNG
(CHEMBL3746858)
Show SMILES CCc1cc2c(nc([nH]c2=O)C2CC2)s1
Show InChI InChI=1S/C11H12N2OS/c1-2-7-5-8-10(14)12-9(6-3-4-6)13-11(8)15-7/h5-6H,2-4H2,1H3,(H,12,13,14)
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1.82E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500486
PNG
(CHEMBL3745825)
Show SMILES Cc1sc2nc([nH]c(=O)c2c1C)-c1ccoc1
Show InChI InChI=1S/C12H10N2O2S/c1-6-7(2)17-12-9(6)11(15)13-10(14-12)8-3-4-16-5-8/h3-5H,1-2H3,(H,13,14,15)
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1.95E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500489
PNG
(CHEMBL1417979)
Show SMILES CCc1cc2c(O)nc(nc2s1)-c1ccncc1
Show InChI InChI=1S/C13H11N3OS/c1-2-9-7-10-12(17)15-11(16-13(10)18-9)8-3-5-14-6-4-8/h3-7H,2H2,1H3,(H,15,16,17)
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2.00E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500483
PNG
(CHEMBL3747257)
Show SMILES CSc1sc(NC(=O)C=C(C)C)nc1C
Show InChI InChI=1S/C10H14N2OS2/c1-6(2)5-8(13)12-10-11-7(3)9(14-4)15-10/h5H,1-4H3,(H,11,12,13)
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2.19E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500482
PNG
(CHEMBL1536674)
Show SMILES CCc1cc2c(O)nc(nc2s1)N1CCCC1
Show InChI InChI=1S/C12H15N3OS/c1-2-8-7-9-10(16)13-12(14-11(9)17-8)15-5-3-4-6-15/h7H,2-6H2,1H3,(H,13,14,16)
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2.29E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500493
PNG
(CHEMBL3746686)
Show SMILES O=C(Nc1ccc2[nH]ncc2c1)c1ccc[nH]1
Show InChI InChI=1S/C12H10N4O/c17-12(11-2-1-5-13-11)15-9-3-4-10-8(6-9)7-14-16-10/h1-7,13H,(H,14,16)(H,15,17)
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2.40E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM89114
PNG
(MLS-0463381.0001 | N-(5,6-dihydro-4H-cyclopenta[d]...)
Show SMILES O=C(Nc1nc2CCCc2s1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-8-9-4-1-2-6-11(9)19-13)17-15-16-10-5-3-7-12(10)20-15/h1-2,4,6,8H,3,5,7H2,(H,16,17,18)
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2.82E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50500484
PNG
(CHEMBL3745868)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)
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2.90E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HeLa cells


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500487
PNG
(CHEMBL3747370)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1ccoc1
Show InChI InChI=1S/C11H10N2O2S/c14-10(8-3-4-15-5-8)13-11-12-9(6-16-11)7-1-2-7/h3-7H,1-2H2,(H,12,13,14)
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2.95E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500492
PNG
(CHEMBL3746510)
Show SMILES COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc12
Show InChI InChI=1S/C17H12N2O2S2/c1-21-11-6-4-8-13-15(11)18-17(23-13)19-16(20)14-9-10-5-2-3-7-12(10)22-14/h2-9H,1H3,(H,18,19,20)
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3.09E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500493
PNG
(CHEMBL3746686)
Show SMILES O=C(Nc1ccc2[nH]ncc2c1)c1ccc[nH]1
Show InChI InChI=1S/C12H10N4O/c17-12(11-2-1-5-13-11)15-9-3-4-10-8(6-9)7-14-16-10/h1-7,13H,(H,14,16)(H,15,17)
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3.16E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500484
PNG
(CHEMBL3745868)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)
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3.72E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500494
PNG
(CHEMBL3746209)
Show SMILES CC(C)(C)C(=O)Nc1nc(cs1)C1CC1
Show InChI InChI=1S/C11H16N2OS/c1-11(2,3)9(14)13-10-12-8(6-15-10)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13,14)
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4.90E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM68331
PNG
(N-(1,3-benzothiazol-2-yl)-1-benzothiophene-2-carbo...)
Show SMILES O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1
Show InChI InChI=1S/C16H10N2OS2/c19-15(14-9-10-5-1-3-7-12(10)20-14)18-16-17-11-6-2-4-8-13(11)21-16/h1-9H,(H,17,18,19)
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6.17E+3n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500494
PNG
(CHEMBL3746209)
Show SMILES CC(C)(C)C(=O)Nc1nc(cs1)C1CC1
Show InChI InChI=1S/C11H16N2OS/c1-11(2,3)9(14)13-10-12-8(6-15-10)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13,14)
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1.23E+4n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500488
PNG
(CHEMBL6215)
Show SMILES CCc1cc2c(O)ncnc2s1
Show InChI InChI=1S/C8H8N2OS/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11)
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1.35E+4n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500489
PNG
(CHEMBL1417979)
Show SMILES CCc1cc2c(O)nc(nc2s1)-c1ccncc1
Show InChI InChI=1S/C13H11N3OS/c1-2-9-7-10-12(17)15-11(16-13(10)18-9)8-3-5-14-6-4-8/h3-7H,2H2,1H3,(H,15,16,17)
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2.29E+4n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500483
PNG
(CHEMBL3747257)
Show SMILES CSc1sc(NC(=O)C=C(C)C)nc1C
Show InChI InChI=1S/C10H14N2OS2/c1-6(2)5-8(13)12-10-11-7(3)9(14-4)15-10/h5H,1-4H3,(H,11,12,13)
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2.95E+4n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500485
PNG
(CHEMBL3745803)
Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1
Show InChI InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)
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5.62E+4n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500491
PNG
(CHEMBL3746858)
Show SMILES CCc1cc2c(nc([nH]c2=O)C2CC2)s1
Show InChI InChI=1S/C11H12N2OS/c1-2-7-5-8-10(14)12-9(6-3-4-6)13-11(8)15-7/h5-6H,2-4H2,1H3,(H,12,13,14)
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6.17E+4n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500488
PNG
(CHEMBL6215)
Show SMILES CCc1cc2c(O)ncnc2s1
Show InChI InChI=1S/C8H8N2OS/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11)
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7.59E+4n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50500482
PNG
(CHEMBL1536674)
Show SMILES CCc1cc2c(O)nc(nc2s1)N1CCCC1
Show InChI InChI=1S/C12H15N3OS/c1-2-8-7-9-10(16)13-12(14-11(9)17-8)15-5-3-4-6-15/h7H,2-6H2,1H3,(H,13,14,16)
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>1.00E+5n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500485
PNG
(CHEMBL3745803)
Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccoc2)s1
Show InChI InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)
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n/an/an/a 741n/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Competitive antagonist activity at YFP linked human adenosine A3 receptor expressed in CHO CRE-SPAP cells assessed as inhibition of NECA-induced rece...


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500484
PNG
(CHEMBL3745868)
Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)
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n/an/an/a 741n/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Competitive antagonist activity at YFP linked human adenosine A3 receptor expressed in CHO CRE-SPAP cells assessed as inhibition of NECA-induced rece...


J Med Chem 58: 9578-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01120
BindingDB Entry DOI: 10.7270/Q25M68QC
More data for this
Ligand-Target Pair