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PubMed code 16078833

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171359
PNG
(6-(3-Nitro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-am...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)[N+]([O-])=O)s1
Show InChI InChI=1S/C16H11N3O2S/c17-16-18-15-13-5-4-10(6-11(13)8-14(15)22-16)9-2-1-3-12(7-9)19(20)21/h1-7H,8H2,(H2,17,18)/p+1
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PubMed
n/an/an/an/a 8.30E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171365
PNG
(6-(2-Methoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-...)
Show SMILES COc1ccccc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C17H14N2OS/c1-20-14-5-3-2-4-12(14)10-6-7-13-11(8-10)9-15-16(13)19-17(18)21-15/h2-8H,9H2,1H3,(H2,18,19)/p+1
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PubMed
n/an/an/an/a 4.35E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171384
PNG
(6-(4-Hydroxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(O)cc2)s1
Show InChI InChI=1S/C16H12N2OS/c17-16-18-15-13-6-3-10(7-11(13)8-14(15)20-16)9-1-4-12(19)5-2-9/h1-7,19H,8H2,(H2,17,18)/p+1
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n/an/an/an/a 3.67E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171355
PNG
(6-(3-Fluoro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-a...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(F)c2)s1
Show InChI InChI=1S/C16H11FN2S/c17-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14-15(13)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171373
PNG
(CHEMBL190479 | Trimethyl-(6-m-tolyl-8H-indeno[1,2-...)
Show SMILES Cc1cccc(c1)-c1ccc-2c(Cc3sc(nc-23)[N+](C)(C)C)c1
Show InChI InChI=1S/C20H21N2S/c1-13-6-5-7-14(10-13)15-8-9-17-16(11-15)12-18-19(17)21-20(23-18)22(2,3)4/h5-11H,12H2,1-4H3/q+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171377
PNG
(6-(2,4-Dimethoxy-phenyl)-8H-indeno[1,2-d]thiazol-2...)
Show SMILES COc1ccc(c(OC)c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C18H16N2O2S/c1-21-12-4-6-13(15(9-12)22-2)10-3-5-14-11(7-10)8-16-17(14)20-18(19)23-16/h3-7,9H,8H2,1-2H3,(H2,19,20)/p+1
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PubMed
n/an/an/an/a 1.18E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171382
PNG
(6-(3,5-Dimethyl-phenyl)-8H-indeno[1,2-d]thiazol-2-...)
Show SMILES Cc1cc(C)cc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C18H16N2S/c1-10-5-11(2)7-13(6-10)12-3-4-15-14(8-12)9-16-17(15)20-18(19)21-16/h3-8H,9H2,1-2H3,(H2,19,20)/p+1
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n/an/an/an/a>8.70E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171361
PNG
(6-(2-Fluoro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-a...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2F)s1
Show InChI InChI=1S/C16H11FN2S/c17-13-4-2-1-3-11(13)9-5-6-12-10(7-9)8-14-15(12)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1
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PubMed
n/an/an/an/a 1.32E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171366
PNG
(6-(2-Nitro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-am...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2[N+]([O-])=O)s1
Show InChI InChI=1S/C16H11N3O2S/c17-16-18-15-12-6-5-9(7-10(12)8-14(15)22-16)11-3-1-2-4-13(11)19(20)21/h1-7H,8H2,(H2,17,18)/p+1
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PubMed
n/an/an/an/a 8.30E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171372
PNG
(6-(4-Trifluoromethyl-phenyl)-8H-indeno[1,2-d]thiaz...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C17H11F3N2S/c18-17(19,20)12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14-15(13)22-16(21)23-14/h1-7H,8H2,(H2,21,22)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171385
PNG
(6-(2-Chloro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-a...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2Cl)s1
Show InChI InChI=1S/C16H11ClN2S/c17-13-4-2-1-3-11(13)9-5-6-12-10(7-9)8-14-15(12)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171353
PNG
(6-(3-Thiophen-2-yl-phenyl)-8H-indeno[1,2-d]thiazol...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)-c2cccs2)s1
Show InChI InChI=1S/C20H14N2S2/c21-20-22-19-16-7-6-13(10-15(16)11-18(19)24-20)12-3-1-4-14(9-12)17-5-2-8-23-17/h1-10H,11H2,(H2,21,22)/p+1
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n/an/an/an/a 1.82E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171358
PNG
(6-(3-Trifluoromethyl-phenyl)-8H-indeno[1,2-d]thiaz...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C17H11F3N2S/c18-17(19,20)12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14-15(13)22-16(21)23-14/h1-7H,8H2,(H2,21,22)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171363
PNG
(6-(3,4-Dimethoxy-phenyl)-8H-indeno[1,2-d]thiazol-2...)
Show SMILES COc1ccc(cc1OC)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C18H16N2O2S/c1-21-14-6-4-11(8-15(14)22-2)10-3-5-13-12(7-10)9-16-17(13)20-18(19)23-16/h3-8H,9H2,1-2H3,(H2,19,20)/p+1
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n/an/an/an/a 1.60E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171370
PNG
(6-(3,4-Dimethyl-phenyl)-8H-indeno[1,2-d]thiazol-2-...)
Show SMILES Cc1ccc(cc1C)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C18H16N2S/c1-10-3-4-12(7-11(10)2)13-5-6-15-14(8-13)9-16-17(15)20-18(19)21-16/h3-8H,9H2,1-2H3,(H2,19,20)/p+1
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n/an/an/an/a 3.01E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171375
PNG
(6-(2-Thiophen-2-yl-phenyl)-8H-indeno[1,2-d]thiazol...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2-c2cccs2)s1
Show InChI InChI=1S/C20H14N2S2/c21-20-22-19-15-8-7-12(10-13(15)11-18(19)24-20)14-4-1-2-5-16(14)17-6-3-9-23-17/h1-10H,11H2,(H2,21,22)/p+1
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n/an/an/an/a 1.14E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171378
PNG
(6-(2,5-Dimethyl-phenyl)-8H-indeno[1,2-d]thiazol-2-...)
Show SMILES Cc1ccc(C)c(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C18H16N2S/c1-10-3-4-11(2)15(7-10)12-5-6-14-13(8-12)9-16-17(14)20-18(19)21-16/h3-8H,9H2,1-2H3,(H2,19,20)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50080550
PNG
((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171386
PNG
(6-(3-Methoxy-naphthalen-2-yl)-8H-indeno[1,2-d]thia...)
Show SMILES COc1cc2ccccc2cc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C21H16N2OS/c1-24-18-10-13-5-3-2-4-12(13)9-17(18)14-6-7-16-15(8-14)11-19-20(16)23-21(22)25-19/h2-10H,11H2,1H3,(H2,22,23)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171381
PNG
(6-(3,4-Dichloro-phenyl)-8H-indeno[1,2-d]thiazol-2-...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C16H10Cl2N2S/c17-12-4-2-9(6-13(12)18)8-1-3-11-10(5-8)7-14-15(11)20-16(19)21-14/h1-6H,7H2,(H2,19,20)/p+1
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n/an/an/an/a 8.00E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171356
PNG
(6-(2,3,4-Trimethoxy-phenyl)-8H-indeno[1,2-d]thiazo...)
Show SMILES COc1ccc(-c2ccc-3c(Cc4sc([NH3+])nc-34)c2)c(OC)c1OC
Show InChI InChI=1S/C19H18N2O3S/c1-22-14-7-6-13(17(23-2)18(14)24-3)10-4-5-12-11(8-10)9-15-16(12)21-19(20)25-15/h4-8H,9H2,1-3H3,(H2,20,21)/p+1
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n/an/an/an/a 1.80E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171360
PNG
(6-(3,5-Dichloro-phenyl)-8H-indeno[1,2-d]thiazol-2-...)
Show SMILES Cc1cc(Cl)cc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C17H13ClN2S/c1-9-4-11(7-13(18)5-9)10-2-3-14-12(6-10)8-15-16(14)20-17(19)21-15/h2-7H,8H2,1H3,(H2,19,20)/p+1
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171383
PNG
(6-(2-Trifluoromethyl-phenyl)-8H-indeno[1,2-d]thiaz...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2C(F)(F)F)s1
Show InChI InChI=1S/C17H11F3N2S/c18-17(19,20)13-4-2-1-3-11(13)9-5-6-12-10(7-9)8-14-15(12)22-16(21)23-14/h1-7H,8H2,(H2,21,22)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171362
PNG
(6-(3-Hydroxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(O)c2)s1
Show InChI InChI=1S/C16H12N2OS/c17-16-18-15-13-5-4-10(6-11(13)8-14(15)20-16)9-2-1-3-12(19)7-9/h1-7,19H,8H2,(H2,17,18)/p+1
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n/an/an/an/a 3.67E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171371
PNG
(6-(4-Dimethylamino-phenyl)-8H-indeno[1,2-d]thiazol...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C18H17N3S/c1-21(2)14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16-17(15)20-18(19)22-16/h3-9H,10H2,1-2H3,(H2,19,20)/p+1
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n/an/an/an/a 1.25E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171374
PNG
(6-Phenyl-8H-indeno[1,2-d]thiazol-2-yl-ammonium; io...)
Show SMILES Cc1ccccc1-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C17H14N2S/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-15-16(14)19-17(18)20-15/h2-8H,9H2,1H3,(H2,18,19)/p+1
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n/an/an/an/a 3.44E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171376
PNG
(6-Naphthalen-2-yl-8H-indeno[1,2-d]thiazol-2-yl-amm...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc3ccccc3c2)s1
Show InChI InChI=1S/C20H14N2S/c21-20-22-19-17-8-7-15(10-16(17)11-18(19)23-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H2,21,22)/p+1
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n/an/an/an/a>4.20E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171379
PNG
(6-(4-Methoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-...)
Show SMILES COc1ccc(cc1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C17H14N2OS/c1-20-13-5-2-10(3-6-13)11-4-7-14-12(8-11)9-15-16(14)19-17(18)21-15/h2-8H,9H2,1H3,(H2,18,19)/p+1
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n/an/an/an/a 1.33E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171380
PNG
(6-(3-Chloro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-a...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc(Cl)c2)s1
Show InChI InChI=1S/C16H11ClN2S/c17-12-3-1-2-9(7-12)10-4-5-13-11(6-10)8-14-15(13)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171357
PNG
(6-(3-Methoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-...)
Show SMILES COc1cccc(c1)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C17H14N2OS/c1-20-13-4-2-3-10(8-13)11-5-6-14-12(7-11)9-15-16(14)19-17(18)21-15/h2-8H,9H2,1H3,(H2,18,19)/p+1
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n/an/an/an/a 1.93E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171364
PNG
(6-Naphthalen-1-yl-8H-indeno[1,2-d]thiazol-2-yl-amm...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2cccc3ccccc23)s1
Show InChI InChI=1S/C20H14N2S/c21-20-22-19-17-9-8-13(10-14(17)11-18(19)23-20)16-7-3-5-12-4-1-2-6-15(12)16/h1-10H,11H2,(H2,21,22)/p+1
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n/an/an/an/a>1.30E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171367
PNG
(6-(4-Fluoro-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-a...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc(F)cc2)s1
Show InChI InChI=1S/C16H11FN2S/c17-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14-15(13)19-16(18)20-14/h1-7H,8H2,(H2,18,19)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171352
PNG
(6-Benzo[1,3]dioxol-5-yl-8H-indeno[1,2-d]thiazol-2-...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccc3OCOc3c2)s1
Show InChI InChI=1S/C17H12N2O2S/c18-17-19-16-12-3-1-9(5-11(12)7-15(16)22-17)10-2-4-13-14(6-10)21-8-20-13/h1-6H,7-8H2,(H2,18,19)/p+1
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n/an/an/an/a 1.16E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171351
PNG
(6-(3,4,5-Trimethoxy-phenyl)-8H-indeno[1,2-d]thiazo...)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc-2c(Cc3sc([NH3+])nc-23)c1
Show InChI InChI=1S/C19H18N2O3S/c1-22-14-7-11(8-15(23-2)18(14)24-3)10-4-5-13-12(6-10)9-16-17(13)21-19(20)25-16/h4-8H,9H2,1-3H3,(H2,20,21)/p+1
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n/an/an/an/a 1.18E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171354
PNG
(6-(2-Benzofuran-2-yl-phenyl)-8H-indeno[1,2-d]thiaz...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2-c2cc3ccccc3o2)s1
Show InChI InChI=1S/C24H16N2OS/c25-24-26-23-18-10-9-14(11-16(18)13-22(23)28-24)17-6-2-3-7-19(17)21-12-15-5-1-4-8-20(15)27-21/h1-12H,13H2,(H2,25,26)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171368
PNG
(6-(o-tolyl)-8H-indeno[1,2-d]thiazol-2-aminium iodi...)
Show SMILES [NH3+]c1nc-2c(Cc3cc(ccc-23)-c2ccccc2)s1
Show InChI InChI=1S/C16H12N2S/c17-16-18-15-13-7-6-11(10-4-2-1-3-5-10)8-12(13)9-14(15)19-16/h1-8H,9H2,(H2,17,18)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50171369
PNG
(6-(4-Phenoxy-phenyl)-8H-indeno[1,2-d]thiazol-2-yl-...)
Show SMILES C[N+](C)(C)c1nc-2c(Cc3cc(ccc-23)-c2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C25H23N2OS/c1-27(2,3)25-26-24-22-14-11-18(15-19(22)16-23(24)29-25)17-9-12-21(13-10-17)28-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3/q+1
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n/an/an/an/a 8.80E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Antagonist activity against adenosine A1 receptor


J Med Chem 48: 5131-9 (2005)


Article DOI: 10.1021/jm049132j
BindingDB Entry DOI: 10.7270/Q28W3F3X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%