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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with Target = 'Transmembrane domain-containing protein TMIGD3'   
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))
BDBM50236785
PNG
(CHEMBL4090355)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C18H17ClN6O4S/c1-20-15-11-16(24-10(23-15)6-4-8-3-5-9(19)30-8)25(7-22-11)18-13(27)12(26)14(29-18)17(28)21-2/h3,5,7,12-14,18,26-27H,1-2H3,(H,21,28)(H,20,23,24)/t12-,13+,14-,18+/m0/s1
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1.60n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50116878
PNG
(CHEMBL3612940)
Show SMILES CCNc1cc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C22H22ClN5O3S/c1-3-25-14-8-11(4-5-12-6-7-15(23)32-12)27-20-16(14)26-10-28(20)17-13-9-22(13,21(31)24-2)19(30)18(17)29/h6-8,10,13,17-19,29-30H,3,9H2,1-2H3,(H,24,31)(H,25,27)/t13-,17-,18+,19+,22+/m1/s1
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1.70n/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-methyluronamide from human A3AR expressed in CHO cells


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236804
PNG
(CHEMBL4066973)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C20H18ClN5O4S/c1-22-17-13-18(25-12(24-17)6-4-9-3-5-11(21)31-9)26(8-23-13)14-10-7-20(10,19(29)30-2)16(28)15(14)27/h3,5,8,10,14-16,27-28H,7H2,1-2H3,(H,22,24,25)/t10-,14-,15+,16+,20+/m1/s1
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5.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]nisoxetine to (NET) norepinephrine transporter in rat striatum


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236774
PNG
(CHEMBL4105127)
Show SMILES CCCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C22H22ClN5O4S/c1-3-8-32-21(31)22-9-12(22)16(17(29)18(22)30)28-10-25-15-19(24-2)26-14(27-20(15)28)7-5-11-4-6-13(23)33-11/h4,6,10,12,16-18,29-30H,3,8-9H2,1-2H3,(H,24,26,27)/t12-,16-,17+,18+,22+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]RANTES binding to CCR5 receptor.


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163874
PNG
(CHEMBL3800048)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C22H21N5O3/c1-12-16-20(26-15(25-12)9-8-13-6-4-3-5-7-13)27(11-24-16)17-14-10-22(14,21(30)23-2)19(29)18(17)28/h3-7,11,14,17-19,28-29H,10H2,1-2H3,(H,23,30)/t14-,17-,18+,19+,22+/m1/s1
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6n/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 expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236779
PNG
(CHEMBL4086593)
Show SMILES CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C20H21ClN6O4S/c1-3-8-23-17-13-18(26-12(25-17)7-5-10-4-6-11(21)32-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)22-2/h4,6,9,14-16,20,28-29H,3,8H2,1-2H3,(H,22,30)(H,23,25,26)/t14-,15+,16-,20+/m0/s1
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6.30n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236714
PNG
(CHEMBL4097426)
Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1
Show InChI InChI=1S/C21H20BrN5O4S/c1-3-31-20(30)21-8-11(21)15(16(28)17(21)29)27-9-24-14-18(23-2)25-13(26-19(14)27)7-5-10-4-6-12(22)32-10/h4,6,9,11,15-17,28-29H,3,8H2,1-2H3,(H,23,25,26)/t11-,15-,16+,17+,21+/m1/s1
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6.40n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236765
PNG
(CHEMBL4089071)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCc1ccccc1)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C26H22ClN5O4S/c1-28-23-19-24(31-18(30-23)10-8-15-7-9-17(27)37-15)32(13-29-19)20-16-11-26(16,22(34)21(20)33)25(35)36-12-14-5-3-2-4-6-14/h2-7,9,13,16,20-22,33-34H,11-12H2,1H3,(H,28,30,31)/t16-,20-,21+,22+,26+/m1/s1
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7.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236762
PNG
(CHEMBL4071830)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Br)s1
Show InChI InChI=1S/C20H18BrN5O4S/c1-22-17-13-18(25-12(24-17)6-4-9-3-5-11(21)31-9)26(8-23-13)14-10-7-20(10,19(29)30-2)16(28)15(14)27/h3,5,8,10,14-16,27-28H,7H2,1-2H3,(H,22,24,25)/t10-,14-,15+,16+,20+/m1/s1
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8.60n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50237600
PNG
(CHEMBL4071867)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(cc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C21H20ClN5O3S/c1-23-19-15-13(7-10(26-19)3-4-11-5-6-14(22)31-11)27(9-25-15)16-12-8-21(12,20(30)24-2)18(29)17(16)28/h5-7,9,12,16-18,28-29H,8H2,1-2H3,(H,23,26)(H,24,30)/t12-,16-,17+,18+,21+/m1/s1
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9.30n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236726
PNG
(CHEMBL4092411)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C18H16ClN5O5S/c1-20-15-11-16(23-10(22-15)6-4-8-3-5-9(19)30-8)24(7-21-11)17-13(26)12(25)14(29-17)18(27)28-2/h3,5,7,12-14,17,25-26H,1-2H3,(H,20,22,23)/t12-,13+,14-,17+/m0/s1
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12n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236796
PNG
(CHEMBL4093756)
Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C21H20ClN5O4S/c1-3-31-20(30)21-8-11(21)15(16(28)17(21)29)27-9-24-14-18(23-2)25-13(26-19(14)27)7-5-10-4-6-12(22)32-10/h4,6,9,11,15-17,28-29H,3,8H2,1-2H3,(H,23,25,26)/t11-,15-,16+,17+,21+/m1/s1
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15n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity towards EP3 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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16n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236818
PNG
(CHEMBL4068757)
Show SMILES CCCCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C23H24ClN5O4S/c1-3-4-9-33-22(32)23-10-13(23)17(18(30)19(23)31)29-11-26-16-20(25-2)27-15(28-21(16)29)8-6-12-5-7-14(24)34-12/h5,7,11,13,17-19,30-31H,3-4,9-10H2,1-2H3,(H,25,27,28)/t13-,17-,18+,19+,23+/m1/s1
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18n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A3 receptor in human NPE cells assessed as inhibition of adenosine-triggered cell shrinkage


J Med Chem 59: 788-809 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00828
BindingDB Entry DOI: 10.7270/Q25M67MM
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236815
PNG
(CHEMBL4081194)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCC(C)C)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C24H26ClN5O4S/c1-12(2)8-9-34-23(33)24-10-14(24)18(19(31)20(24)32)30-11-27-17-21(26-3)28-16(29-22(17)30)7-5-13-4-6-15(25)35-13/h4,6,11-12,14,18-20,31-32H,8-10H2,1-3H3,(H,26,28,29)/t14-,18-,19+,20+,24+/m1/s1
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24n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibit of purified bovine Farnesyl protein transferase.


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199467
PNG
(CHEMBL3985712)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(nc(nc12)C#Cc1ccc(Cl)s1)N(C)C
Show InChI InChI=1S/C21H21ClN6O3S/c1-23-20(31)21-8-11(21)15(16(29)17(21)30)28-9-24-14-18(27(2)3)25-13(26-19(14)28)7-5-10-4-6-12(22)32-10/h4,6,9,11,15-17,29-30H,8H2,1-3H3,(H,23,31)/t11-,15-,16+,17+,21+/m1/s1
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24n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50148601
PNG
(CHEMBL3771367)
Show SMILES CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)Oc1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25NO4/c1-3-34-29(32)26-21(2)31-28(23-15-9-5-10-16-23)27(30(33)35-24-17-11-6-12-18-24)25(26)20-19-22-13-7-4-8-14-22/h4-18,25,31H,3H2,1-2H3
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31n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human brain adenosine A3 receptor expressed in HEK293 cells


J Med Chem 59: 788-809 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00828
BindingDB Entry DOI: 10.7270/Q25M67MM
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199463
PNG
(CHEMBL3976121)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1S/C20H25ClN6O3/c1-22-18(30)20-6-10(20)13(14(28)15(20)29)27-7-23-12-16(25-19(21)26-17(12)27)24-11(8-2-3-8)9-4-5-9/h7-11,13-15,28-29H,2-6H2,1H3,(H,22,30)(H,24,25,26)/t10-,13-,14+,15+,20+/m1/s1
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34n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163884
PNG
(CHEMBL3798200)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C20H18ClN5O3S/c1-9-14-18(25-13(24-9)6-4-10-3-5-12(21)30-10)26(8-23-14)15-11-7-20(11,19(29)22-2)17(28)16(15)27/h3,5,8,11,15-17,27-28H,7H2,1-2H3,(H,22,29)/t11-,15-,16+,17+,20+/m1/s1
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42n/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 expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236764
PNG
(CHEMBL4072303)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OC(C)C)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C22H22ClN5O4S/c1-10(2)32-21(31)22-8-12(22)16(17(29)18(22)30)28-9-25-15-19(24-3)26-14(27-20(15)28)7-5-11-4-6-13(23)33-11/h4,6,9-10,12,16-18,29-30H,8H2,1-3H3,(H,24,26,27)/t12-,16-,17+,18+,22+/m1/s1
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43n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163878
PNG
(CHEMBL3799738)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2cnc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C19H16ClN5O3S/c1-21-18(28)19-6-10(19)14(15(26)16(19)27)25-8-23-11-7-22-13(24-17(11)25)5-3-9-2-4-12(20)29-9/h2,4,7-8,10,14-16,26-27H,6H2,1H3,(H,21,28)/t10-,14-,15+,16+,19+/m1/s1
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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 human adenosine A3 receptor expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163871
PNG
(CHEMBL3800106)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(\C=C(/O)c3ccccc3)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C29H25N5O4/c1-30-28(38)29-15-19(29)24(25(36)26(29)37)34-16-31-23-20(14-21(35)18-10-6-3-7-11-18)32-22(33-27(23)34)13-12-17-8-4-2-5-9-17/h2-11,14,16,19,24-26,35-37H,15H2,1H3,(H,30,38)/b21-14-/t19-,24-,25+,26+,29+/m1/s1
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79n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation p...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163873
PNG
(CHEMBL3800558)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(\C=C(/O)c3ccc(cc3)C(C)(C)C)nc(nc12)C#Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C37H41N5O4/c1-35(2,3)23-13-8-21(9-14-23)10-17-28-40-26(18-27(43)22-11-15-24(16-12-22)36(4,5)6)29-33(41-28)42(20-39-29)30-25-19-37(25,34(46)38-7)32(45)31(30)44/h8-9,11-16,18,20,25,30-32,43-45H,19H2,1-7H3,(H,38,46)/b27-18-/t25-,30-,31+,32+,37+/m1/s1
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94n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation p...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163885
PNG
(CHEMBL3800360)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C22H19F2N5O3/c1-10-16-20(28-15(27-10)6-4-11-3-5-13(23)14(24)7-11)29(9-26-16)17-12-8-22(12,21(32)25-2)19(31)18(17)30/h3,5,7,9,12,17-19,30-31H,8H2,1-2H3,(H,25,32)/t12-,17-,18+,19+,22+/m1/s1
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99n/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 expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50148600
PNG
(CHEMBL3770003)
Show SMILES CCOC(=O)C1=C(C)NC(=C(C1\C=C\c1ccccc1)C(=O)OCC)c1ccccc1
Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21,27H,4-5H2,1-3H3/b17-16+
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108n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human brain adenosine A3 receptor expressed in HEK293 cells


J Med Chem 59: 788-809 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00828
BindingDB Entry DOI: 10.7270/Q25M67MM
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199472
PNG
(CHEMBL3941980)
Show SMILES Fc1ccc(cc1F)C#Cc1nc(NCc2cccc(Cl)c2)c2nc[nH]c2n1
Show InChI InChI=1S/C20H12ClF2N5/c21-14-3-1-2-13(8-14)10-24-19-18-20(26-11-25-18)28-17(27-19)7-5-12-4-6-15(22)16(23)9-12/h1-4,6,8-9,11H,10H2,(H2,24,25,26,27,28)
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120n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163883
PNG
(CHEMBL3800509)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2cnc(nc12)C#Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C21H17F2N5O3/c1-24-20(31)21-7-11(21)16(17(29)18(21)30)28-9-26-14-8-25-15(27-19(14)28)5-3-10-2-4-12(22)13(23)6-10/h2,4,6,8-9,11,16-18,29-30H,7H2,1H3,(H,24,31)/t11-,16-,17+,18+,21+/m1/s1
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124n/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 expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236794
PNG
(CHEMBL4081828)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NCCN)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C21H22ClN7O3S/c1-24-18-14-19(28-13(27-18)5-3-10-2-4-12(22)33-10)29(9-26-14)15-11-8-21(11,17(31)16(15)30)20(32)25-7-6-23/h2,4,9,11,15-17,30-31H,6-8,23H2,1H3,(H,25,32)(H,24,27,28)/t11-,15-,16+,17+,21+/m1/s1
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156n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199457
PNG
(CHEMBL3932820)
Show SMILES CC[C@@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O)C1CC1
Show InChI InChI=1S/C18H24ClN5O3/c1-2-10(8-3-4-8)21-15-11-16(23-17(19)22-15)24(7-20-11)12-9-5-18(9,6-25)14(27)13(12)26/h7-10,12-14,25-27H,2-6H2,1H3,(H,21,22,23)/t9-,10-,12-,13+,14+,18+/m1/s1
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160n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199453
PNG
(CHEMBL3914002)
Show SMILES Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1
Show InChI InChI=1S/C12H9Cl2N5/c13-8-3-1-2-7(4-8)5-15-10-9-11(17-6-16-9)19-12(14)18-10/h1-4,6H,5H2,(H2,15,16,17,18,19)
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165n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236719
PNG
(CHEMBL4078926)
Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(cc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C22H21ClN4O4S/c1-3-31-21(30)22-9-13(22)17(18(28)19(22)29)27-10-25-16-14(27)8-11(26-20(16)24-2)4-5-12-6-7-15(23)32-12/h6-8,10,13,17-19,28-29H,3,9H2,1-2H3,(H,24,26)/t13-,17-,18+,19+,22+/m1/s1
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169n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199462
PNG
(CHEMBL3955519)
Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1S/C21H26ClN5O4/c1-2-31-19(30)21-7-11(21)14(15(28)16(21)29)27-8-23-13-17(25-20(22)26-18(13)27)24-12(9-3-4-9)10-5-6-10/h8-12,14-16,28-29H,2-7H2,1H3,(H,24,25,26)/t11-,14-,15+,16+,21+/m1/s1
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236n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236659
PNG
(CHEMBL4096775)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCCc1ccccc1)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C28H26ClN5O4S/c1-30-25-21-26(33-20(32-25)12-10-17-9-11-19(29)39-17)34(15-31-21)22-18-14-28(18,24(36)23(22)35)27(37)38-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9,11,15,18,22-24,35-36H,5,8,13-14H2,1H3,(H,30,32,33)/t18-,22-,23+,24+,28+/m1/s1
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255n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236781
PNG
(CHEMBL4067857)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCc1ccccc1)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C27H24ClN5O4S/c1-29-24-20-25(32-19(31-24)10-8-16-7-9-18(28)38-16)33(14-30-20)21-17-13-27(17,23(35)22(21)34)26(36)37-12-11-15-5-3-2-4-6-15/h2-7,9,14,17,21-23,34-35H,11-13H2,1H3,(H,29,31,32)/t17-,21-,22+,23+,27+/m1/s1
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262n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163882
PNG
(CHEMBL3799095)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H29N5O3/c1-14-19-23(30-18(29-14)11-8-15-6-9-16(10-7-15)25(2,3)4)31(13-28-19)20-17-12-26(17,24(34)27-5)22(33)21(20)32/h6-7,9-10,13,17,20-22,32-33H,12H2,1-5H3,(H,27,34)/t17-,20-,21+,22+,26+/m1/s1
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305n/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 expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163881
PNG
(CHEMBL3798963)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1cnccn1
Show InChI InChI=1S/C20H19N7O3/c1-10-14-18(26-13(25-10)4-3-11-8-22-5-6-23-11)27(9-24-14)15-12-7-20(12,19(30)21-2)17(29)16(15)28/h5-6,8-9,12,15-17,28-29H,7H2,1-2H3,(H,21,30)/t12-,15-,16+,17+,20+/m1/s1
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343n/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 expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50379107
PNG
(CHEMBL2012686)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1S/C18H22ClN5O2/c19-18-22-16(21-11(7-1-2-7)8-3-4-8)12-17(23-18)24(6-20-12)13-9-5-10(9)14(25)15(13)26/h6-11,13-15,25-26H,1-5H2,(H,21,22,23)/t9-,10+,13+,14+,15-/m0/s1
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470n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199452
PNG
(CHEMBL3956531)
Show SMILES CCCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1S/C22H28ClN5O4/c1-2-7-32-20(31)22-8-12(22)15(16(29)17(22)30)28-9-24-14-18(26-21(23)27-19(14)28)25-13(10-3-4-10)11-5-6-11/h9-13,15-17,29-30H,2-8H2,1H3,(H,25,26,27)/t12-,15-,16+,17+,22+/m1/s1
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499n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163872
PNG
(CHEMBL3797208)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(\C=C(/O)c3ccccc3Cl)nc(nc12)C#Cc1ccccc1Cl
Show InChI InChI=1S/C29H23Cl2N5O4/c1-32-28(40)29-13-17(29)24(25(38)26(29)39)36-14-33-23-20(12-21(37)16-7-3-5-9-19(16)31)34-22(35-27(23)36)11-10-15-6-2-4-8-18(15)30/h2-9,12,14,17,24-26,37-39H,13H2,1H3,(H,32,40)/b21-12-/t17-,24-,25+,26+,29+/m1/s1
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515n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation p...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163880
PNG
(CHEMBL3800202)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2cnc(NC)nc12
Show InChI InChI=1S/C14H18N6O3/c1-15-12(23)14-3-6(14)8(9(21)10(14)22)20-5-18-7-4-17-13(16-2)19-11(7)20/h4-6,8-10,21-22H,3H2,1-2H3,(H,15,23)(H,16,17,19)/t6-,8-,9+,10+,14+/m1/s1
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604n/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 expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163877
PNG
(CHEMBL3799847)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(OC)nc(nc12)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C20H18ClN5O4S/c1-22-19(29)20-7-10(20)14(15(27)16(20)28)26-8-23-13-17(26)24-12(25-18(13)30-2)6-4-9-3-5-11(21)31-9/h3,5,8,10,14-16,27-28H,7H2,1-2H3,(H,22,29)/t10-,14-,15+,16+,20+/m1/s1
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684n/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 expressed in CHO cell membranes incub...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236741
PNG
(CHEMBL4078748)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(O)=O)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C19H16ClN5O4S/c1-21-16-12-17(24-11(23-16)5-3-8-2-4-10(20)30-8)25(7-22-12)13-9-6-19(9,18(28)29)15(27)14(13)26/h2,4,7,9,13-15,26-27H,6H2,1H3,(H,28,29)(H,21,23,24)/t9-,13-,14+,15+,19+/m1/s1
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684n/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-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199455
PNG
(CHEMBL3970041)
Show SMILES COC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1S/C20H24ClN5O4/c1-30-18(29)20-6-10(20)13(14(27)15(20)28)26-7-22-12-16(24-19(21)25-17(12)26)23-11(8-2-3-8)9-4-5-9/h7-11,13-15,27-28H,2-6H2,1H3,(H,23,24,25)/t10-,13-,14+,15+,20+/m1/s1
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766n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236775
PNG
(CHEMBL4105446)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCC1CCCCC1)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C27H30ClN5O4S/c1-29-24-20-25(32-19(31-24)10-8-16-7-9-18(28)38-16)33(14-30-20)21-17-13-27(17,23(35)22(21)34)26(36)37-12-11-15-5-3-2-4-6-15/h7,9,14-15,17,21-23,34-35H,2-6,11-13H2,1H3,(H,29,31,32)/t17-,21-,22+,23+,27+/m1/s1
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770n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199458
PNG
(CHEMBL3938006)
Show SMILES CN(C)c1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C14H16ClN5O4/c1-19(2)10-6-11(18-13(15)17-10)20(4-16-6)7-5-3-14(5,12(23)24)9(22)8(7)21/h4-5,7-9,21-22H,3H2,1-2H3,(H,23,24)/t5-,7-,8+,9+,14+/m1/s1
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1.08E+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 [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50163870
PNG
(CHEMBL3799021)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(\C=C(/O)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C21H20ClN5O4/c1-23-19(31)21-8-11(21)15(16(29)17(21)30)27-9-24-14-12(25-20(22)26-18(14)27)7-13(28)10-5-3-2-4-6-10/h2-7,9,11,15-17,28-30H,8H2,1H3,(H,23,31)/b13-7-/t11-,15-,16+,17+,21+/m1/s1
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1.14E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation p...


J Med Chem 59: 3249-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01998
BindingDB Entry DOI: 10.7270/Q2WQ05PZ
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199456
PNG
(CHEMBL3904817)
Show SMILES CCC(CC)Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H24ClN5O3/c1-3-8(4-2)20-14-10-15(22-16(18)21-14)23(7-19-10)11-9-5-17(9,6-24)13(26)12(11)25/h7-9,11-13,24-26H,3-6H2,1-2H3,(H,20,21,22)/t9-,11-,12+,13+,17+/m1/s1
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1.20E+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 [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199459
PNG
(CHEMBL3905850)
Show SMILES CC(C)[C@@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(CO)[C@@H](O)[C@H]1O)C1CC1
Show InChI InChI=1S/C19H26ClN5O3/c1-8(2)11(9-3-4-9)22-16-12-17(24-18(20)23-16)25(7-21-12)13-10-5-19(10,6-26)15(28)14(13)27/h7-11,13-15,26-28H,3-6H2,1-2H3,(H,22,23,24)/t10-,11-,13-,14+,15+,19+/m1/s1
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1.24E+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 [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50199470
PNG
(CHEMBL3941738)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(nc(Cl)nc12)N(C)C
Show InChI InChI=1S/C15H19ClN6O3/c1-17-13(25)15-4-6(15)8(9(23)10(15)24)22-5-18-7-11(21(2)3)19-14(16)20-12(7)22/h5-6,8-10,23-24H,4H2,1-3H3,(H,17,25)/t6-,8-,9+,10+,15+/m1/s1
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1.48E+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 [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
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