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3 similar compounds to monomer 50163884

Compile data set for download or QSAR
Wt: 429.8
BDBM50163878
Wt: 318.3
BDBM50163880
Wt: 459.9
BDBM50163877

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50163878,50163880,50163877   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
Adenosine receptor A3


(Mus musculus)
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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396n/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 mouse adenosine A3 receptor expressed in HEK293 cell membranes 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
Adenosine receptor A1


(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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796n/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 expressed in CHO cell membranes incubated for 60 mins by liquid sc...


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))
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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n/an/an/an/a 27n/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