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PubMed code 26236460

Compile data set for download or QSAR
Found 36 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
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500133
PNG
(CHEMBL3747303)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Show InChI InChI=1S/C14H17N9O3/c1-16-10-6-11(20-13(19-10)21-22-15)23(4-18-6)7-5-3-14(5,12(26)17-2)9(25)8(7)24/h4-5,7-9,24-25H,3H2,1-2H3,(H,17,26)(H,16,19,20)/t5-,7-,8+,9+,14+/m1/s1
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 0.540n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500127
PNG
(CHEMBL3746778)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(Br)s1)C(=O)NC |r|
Show InChI InChI=1S/C20H20BrN9O3S/c1-22-16-12-17(26-19(25-16)30-6-9(27-28-30)10-3-4-11(21)34-10)29(7-24-12)13-8-5-20(8,18(33)23-2)15(32)14(13)31/h3-4,6-8,13-15,31-32H,5H2,1-2H3,(H,23,33)(H,22,25,26)/t8-,13-,14+,15+,20+/m1/s1
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 0.580n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500126
PNG
(CHEMBL3746260)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Show InChI InChI=1S/C15H19N9O3/c1-3-18-11-7-12(21-14(20-11)22-23-16)24(5-19-7)8-6-4-15(6,13(27)17-2)10(26)9(8)25/h5-6,8-10,25-26H,3-4H2,1-2H3,(H,17,27)(H,18,20,21)/t6-,8-,9+,10+,15+/m1/s1
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 0.690n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50116875
PNG
(CHEMBL3612943)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C20H20ClN9O3S/c1-22-16-12-17(26-19(25-16)30-6-9(27-28-30)10-3-4-11(21)34-10)29(7-24-12)13-8-5-20(8,18(33)23-2)15(32)14(13)31/h3-4,6-8,13-15,31-32H,5H2,1-2H3,(H,23,33)(H,22,25,26)/t8-,13-,14+,15+,20+/m1/s1
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 0.730n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500124
PNG
(CHEMBL3747005)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC3CCC3)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Show InChI InChI=1S/C17H21N9O3/c1-19-15(29)17-5-8(17)10(11(27)12(17)28)26-6-20-9-13(21-7-3-2-4-7)22-16(24-25-18)23-14(9)26/h6-8,10-12,27-28H,2-5H2,1H3,(H,19,29)(H,21,22,23)/t8-,10-,11+,12+,17+/m1/s1
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 0.850n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500115
PNG
(CHEMBL3747209)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCc3ccccc3)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Show InChI InChI=1S/C21H23N9O3/c1-23-19(33)21-9-12(21)14(15(31)16(21)32)30-10-25-13-17(26-20(28-29-22)27-18(13)30)24-8-7-11-5-3-2-4-6-11/h2-6,10,12,14-16,31-32H,7-9H2,1H3,(H,23,33)(H,24,26,27)/t12-,14-,15+,16+,21+/m1/s1
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 0.850n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500123
PNG
(CHEMBL3746512)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCc3ccccc3)nc(I)nc12)C(=O)NC |r|
Show InChI InChI=1S/C21H23IN6O3/c1-23-19(31)21-9-12(21)14(15(29)16(21)30)28-10-25-13-17(26-20(22)27-18(13)28)24-8-7-11-5-3-2-4-6-11/h2-6,10,12,14-16,29-30H,7-9H2,1H3,(H,23,31)(H,24,26,27)/t12-,14-,15+,16+,21+/m1/s1
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 0.910n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500130
PNG
(CHEMBL3746774)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccc1Cl)C(=O)NC |r|
Show InChI InChI=1S/C22H22ClN9O3/c1-24-18-14-19(28-21(27-18)32-8-13(29-30-32)10-5-3-4-6-12(10)23)31(9-26-14)15-11-7-22(11,20(35)25-2)17(34)16(15)33/h3-6,8-9,11,15-17,33-34H,7H2,1-2H3,(H,25,35)(H,24,27,28)/t11-,15-,16+,17+,22+/m1/s1
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 0.950n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500116
PNG
(CHEMBL3746358)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccc1)C(=O)NC |r|
Show InChI InChI=1S/C22H23N9O3/c1-23-18-14-19(27-21(26-18)31-9-13(28-29-31)11-6-4-3-5-7-11)30(10-25-14)15-12-8-22(12,20(34)24-2)17(33)16(15)32/h3-7,9-10,12,15-17,32-33H,8H2,1-2H3,(H,24,34)(H,23,26,27)/t12-,15-,16+,17+,22+/m1/s1
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 0.960n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500120
PNG
(CHEMBL3747276)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccco1)C(=O)NC |r|
Show InChI InChI=1S/C20H21N9O4/c1-21-16-12-17(25-19(24-16)29-7-10(26-27-29)11-4-3-5-33-11)28(8-23-12)13-9-6-20(9,18(32)22-2)15(31)14(13)30/h3-5,7-9,13-15,30-31H,6H2,1-2H3,(H,22,32)(H,21,24,25)/t9-,13-,14+,15+,20+/m1/s1
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 0.960n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500125
PNG
(CHEMBL3746487)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCc3cccc(Cl)c3)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Show InChI InChI=1S/C20H20ClN9O3/c1-23-18(33)20-6-11(20)13(14(31)15(20)32)30-8-25-12-16(26-19(28-29-22)27-17(12)30)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,31-32H,6-7H2,1H3,(H,23,33)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500117
PNG
(CHEMBL3747457)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(F)c(F)c1)C(=O)NC |r|
Show InChI InChI=1S/C22H21F2N9O3/c1-25-18-14-19(32(8-27-14)15-10-6-22(10,20(36)26-2)17(35)16(15)34)29-21(28-18)33-7-13(30-31-33)9-3-4-11(23)12(24)5-9/h3-5,7-8,10,15-17,34-35H,6H2,1-2H3,(H,26,36)(H,25,28,29)/t10-,15-,16+,17+,22+/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500113
PNG
(CHEMBL3747461)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(I)nc12)C(=O)NC |r|
Show InChI InChI=1S/C15H19IN6O3/c1-3-18-11-7-12(21-14(16)20-11)22(5-19-7)8-6-4-15(6,13(25)17-2)10(24)9(8)23/h5-6,8-10,23-24H,3-4H2,1-2H3,(H,17,25)(H,18,20,21)/t6-,8-,9+,10+,15+/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50116871
PNG
(CHEMBL3612944)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C21H22ClN9O3S/c1-3-24-17-13-18(27-20(26-17)31-7-10(28-29-31)11-4-5-12(22)35-11)30(8-25-13)14-9-6-21(9,19(34)23-2)16(33)15(14)32/h4-5,7-9,14-16,32-33H,3,6H2,1-2H3,(H,23,34)(H,24,26,27)/t9-,14-,15+,16+,21+/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500129
PNG
(CHEMBL3745837)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1cc2ccccc2o1)C(=O)NC |r|
Show InChI InChI=1S/C24H23N9O4/c1-25-20-16-21(32(10-27-16)17-12-8-24(12,22(36)26-2)19(35)18(17)34)29-23(28-20)33-9-13(30-31-33)15-7-11-5-3-4-6-14(11)37-15/h3-7,9-10,12,17-19,34-35H,8H2,1-2H3,(H,26,36)(H,25,28,29)/t12-,17-,18+,19+,24+/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500122
PNG
(CHEMBL3746890)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC3CCC3)nc(I)nc12)C(=O)NC |r|
Show InChI InChI=1S/C17H21IN6O3/c1-19-15(27)17-5-8(17)10(11(25)12(17)26)24-6-20-9-13(21-7-3-2-4-7)22-16(18)23-14(9)24/h6-8,10-12,25-26H,2-5H2,1H3,(H,19,27)(H,21,22,23)/t8-,10-,11+,12+,17+/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500118
PNG
(CHEMBL3747756)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccn1)C(=O)NC |r|
Show InChI InChI=1S/C21H22N10O3/c1-22-17-13-18(27-20(26-17)31-8-12(28-29-31)11-5-3-4-6-24-11)30(9-25-13)14-10-7-21(10,19(34)23-2)16(33)15(14)32/h3-6,8-10,14-16,32-33H,7H2,1-2H3,(H,23,34)(H,22,26,27)/t10-,14-,15+,16+,21+/m1/s1
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PubMed
 1.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500119
PNG
(CHEMBL3745807)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1cnn(C)c1)C(=O)NC |r|
Show InChI InChI=1S/C20H23N11O3/c1-21-16-12-17(26-19(25-16)31-7-11(27-28-31)9-5-24-29(3)6-9)30(8-23-12)13-10-4-20(10,18(34)22-2)15(33)14(13)32/h5-8,10,13-15,32-33H,4H2,1-3H3,(H,22,34)(H,21,25,26)/t10-,13-,14+,15+,20+/m1/s1
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 2.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500131
PNG
(CHEMBL3747321)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1cnccn1)C(=O)NC |r|
Show InChI InChI=1S/C20H21N11O3/c1-21-16-12-17(27-19(26-16)31-7-11(28-29-31)10-6-23-3-4-24-10)30(8-25-12)13-9-5-20(9,18(34)22-2)15(33)14(13)32/h3-4,6-9,13-15,32-33H,5H2,1-2H3,(H,22,34)(H,21,26,27)/t9-,13-,14+,15+,20+/m1/s1
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 2.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500128
PNG
(CHEMBL3747670)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ncccn1)C(=O)NC |r|
Show InChI InChI=1S/C20H21N11O3/c1-21-16-11-17(27-19(26-16)31-7-10(28-29-31)15-23-4-3-5-24-15)30(8-25-11)12-9-6-20(9,18(34)22-2)14(33)13(12)32/h3-5,7-9,12-14,32-33H,6H2,1-2H3,(H,22,34)(H,21,26,27)/t9-,12-,13+,14+,20+/m1/s1
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 3.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Mus musculus)		BDBM50500114
PNG
(CHEMBL3746886)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C26H23Cl2N9O3S/c1-29-24(40)26-8-14(26)19(20(38)21(26)39)36-11-31-18-22(30-9-12-3-2-4-13(27)7-12)32-25(33-23(18)36)37-10-15(34-35-37)16-5-6-17(28)41-16/h2-7,10-11,14,19-21,38-39H,8-9H2,1H3,(H,29,40)(H,30,32,33)/t14-,19-,20+,21+,26+/m1/s1
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 6.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500132
PNG
(CHEMBL3746784)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCc3ccccc3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C27H26ClN9O3S/c1-29-25(40)27-11-15(27)20(21(38)22(27)39)36-13-31-19-23(30-10-9-14-5-3-2-4-6-14)32-26(33-24(19)36)37-12-16(34-35-37)17-7-8-18(28)41-17/h2-8,12-13,15,20-22,38-39H,9-11H2,1H3,(H,29,40)(H,30,32,33)/t15-,20-,21+,22+,27+/m1/s1
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 6.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500121
PNG
(CHEMBL3745851)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC3CCC3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C23H24ClN9O3S/c1-25-21(36)23-7-11(23)16(17(34)18(23)35)32-9-26-15-19(27-10-3-2-4-10)28-22(29-20(15)32)33-8-12(30-31-33)13-5-6-14(24)37-13/h5-6,8-11,16-18,34-35H,2-4,7H2,1H3,(H,25,36)(H,27,28,29)/t11-,16-,17+,18+,23+/m1/s1
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 7.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50500114
PNG
(CHEMBL3746886)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C26H23Cl2N9O3S/c1-29-24(40)26-8-14(26)19(20(38)21(26)39)36-11-31-18-22(30-9-12-3-2-4-13(27)7-12)32-25(33-23(18)36)37-10-15(34-35-37)16-5-6-17(28)41-16/h2-7,10-11,14,19-21,38-39H,8-9H2,1H3,(H,29,40)(H,30,32,33)/t14-,19-,20+,21+,26+/m1/s1
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 9n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Mus musculus)		BDBM50116871
PNG
(CHEMBL3612944)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C21H22ClN9O3S/c1-3-24-17-13-18(27-20(26-17)31-7-10(28-29-31)11-4-5-12(22)35-11)30(8-25-13)14-9-6-21(9,19(34)23-2)16(33)15(14)32/h4-5,7-9,14-16,32-33H,3,6H2,1-2H3,(H,23,34)(H,24,26,27)/t9-,14-,15+,16+,21+/m1/s1
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PubMed
 9.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Mus musculus)		BDBM50500121
PNG
(CHEMBL3745851)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC3CCC3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C23H24ClN9O3S/c1-25-21(36)23-7-11(23)16(17(34)18(23)35)32-9-26-15-19(27-10-3-2-4-10)28-22(29-20(15)32)33-8-12(30-31-33)13-5-6-14(24)37-13/h5-6,8-11,16-18,34-35H,2-4,7H2,1H3,(H,25,36)(H,27,28,29)/t11-,16-,17+,18+,23+/m1/s1
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 14n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Mus musculus)		BDBM50500128
PNG
(CHEMBL3747670)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ncccn1)C(=O)NC |r|
Show InChI InChI=1S/C20H21N11O3/c1-21-16-11-17(27-19(26-16)31-7-10(28-29-31)15-23-4-3-5-24-15)30(8-25-11)12-9-6-20(9,18(34)22-2)14(33)13(12)32/h3-5,7-9,12-14,32-33H,6H2,1-2H3,(H,22,34)(H,21,26,27)/t9-,12-,13+,14+,20+/m1/s1
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 334n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse adenosine A3 receptor stably expressed in CHO cell membrane...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50500126
PNG
(CHEMBL3746260)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Show InChI InChI=1S/C15H19N9O3/c1-3-18-11-7-12(21-14(20-11)22-23-16)24(5-19-7)8-6-4-15(6,13(27)17-2)10(26)9(8)25/h5-6,8-10,25-26H,3-4H2,1-2H3,(H,17,27)(H,18,20,21)/t6-,8-,9+,10+,15+/m1/s1
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 707n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]N6-R-phenylisopropyladenosine from human adenosine A1 receptor stably expressed in CHO cell membrane by radioligand binding assay

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50500115
PNG
(CHEMBL3747209)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCc3ccccc3)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Show InChI InChI=1S/C21H23N9O3/c1-23-19(33)21-9-12(21)14(15(31)16(21)32)30-10-25-13-17(26-20(28-29-22)27-18(13)30)24-8-7-11-5-3-2-4-6-11/h2-6,10,12,14-16,31-32H,7-9H2,1H3,(H,23,33)(H,24,26,27)/t12-,14-,15+,16+,21+/m1/s1
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 1.11E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamido-adenosine from human adenosine A2A receptor stably expressed in HEK2...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50500113
PNG
(CHEMBL3747461)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(I)nc12)C(=O)NC |r|
Show InChI InChI=1S/C15H19IN6O3/c1-3-18-11-7-12(21-14(16)20-11)22(5-19-7)8-6-4-15(6,13(25)17-2)10(24)9(8)23/h5-6,8-10,23-24H,3-4H2,1-2H3,(H,17,25)(H,18,20,21)/t6-,8-,9+,10+,15+/m1/s1
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 1.91E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]N6-R-phenylisopropyladenosine from human adenosine A1 receptor stably expressed in CHO cell membrane by radioligand binding assay

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50500125
PNG
(CHEMBL3746487)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCc3cccc(Cl)c3)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Show InChI InChI=1S/C20H20ClN9O3/c1-23-18(33)20-6-11(20)13(14(31)15(20)32)30-8-25-12-16(26-19(28-29-22)27-17(12)30)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,31-32H,6-7H2,1H3,(H,23,33)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1
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 2.77E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamido-adenosine from human adenosine A2A receptor stably expressed in HEK2...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50500132
PNG
(CHEMBL3746784)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCCc3ccccc3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C27H26ClN9O3S/c1-29-25(40)27-11-15(27)20(21(38)22(27)39)36-13-31-19-23(30-10-9-14-5-3-2-4-6-14)32-26(33-24(19)36)37-12-16(34-35-37)17-7-8-18(28)41-17/h2-8,12-13,15,20-22,38-39H,9-11H2,1H3,(H,29,40)(H,30,32,33)/t15-,20-,21+,22+,27+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamido-adenosine from human adenosine A2A receptor stably expressed in HEK2...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50500114
PNG
(CHEMBL3746886)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C26H23Cl2N9O3S/c1-29-24(40)26-8-14(26)19(20(38)21(26)39)36-11-31-18-22(30-9-12-3-2-4-13(27)7-12)32-25(33-23(18)36)37-10-15(34-35-37)16-5-6-17(28)41-16/h2-7,10-11,14,19-21,38-39H,8-9H2,1H3,(H,29,40)(H,30,32,33)/t14-,19-,20+,21+,26+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamido-adenosine from human adenosine A2A receptor stably expressed in HEK2...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50500121
PNG
(CHEMBL3745851)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC3CCC3)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1)C(=O)NC |r|
Show InChI InChI=1S/C23H24ClN9O3S/c1-25-21(36)23-7-11(23)16(17(34)18(23)35)32-9-26-15-19(27-10-3-2-4-10)28-22(29-20(15)32)33-8-12(30-31-33)13-5-6-14(24)37-13/h5-6,8-11,16-18,34-35H,2-4,7H2,1H3,(H,25,36)(H,27,28,29)/t11-,16-,17+,18+,23+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamido-adenosine from human adenosine A2A receptor stably expressed in HEK2...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50500122
PNG
(CHEMBL3746890)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC3CCC3)nc(I)nc12)C(=O)NC |r|
Show InChI InChI=1S/C17H21IN6O3/c1-19-15(27)17-5-8(17)10(11(25)12(17)26)24-6-20-9-13(21-7-3-2-4-7)22-16(18)23-14(9)24/h6-8,10-12,25-26H,2-5H2,1H3,(H,19,27)(H,21,22,23)/t8-,10-,11+,12+,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]2-[p(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamido-adenosine from human adenosine A2A receptor stably expressed in HEK2...

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50500120
PNG
(CHEMBL3747276)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccco1)C(=O)NC |r|
Show InChI InChI=1S/C20H21N9O4/c1-21-16-12-17(25-19(24-16)29-7-10(26-27-29)11-4-3-5-33-11)28(8-23-12)13-9-6-20(9,18(32)22-2)15(31)14(13)30/h3-5,7-9,13-15,30-31H,6H2,1-2H3,(H,22,32)(H,21,24,25)/t9-,13-,14+,15+,20+/m1/s1
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n/an/a<1.00E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]tiotidine from H2 histamine receptor (unknown origin) expressed in cells incubated for 1.5 hrs by scintillation counting method

Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%