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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for UniProtKB: P0DMS9   
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))
BDBM50118803
PNG
((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H19IN6O4/c20-11-3-1-2-10(6-11)7-22-15-12-16(24-8-23-15)26(9-25-12)17-13(27)14(28)19(30-17)4-5-21-18(19)29/h1-3,6,8-9,13-14,17,27-28H,4-5,7H2,(H,21,29)(H,22,23,24)/t13-,14+,17-,19+/m1/s1
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Article
PubMed
n/an/a 42n/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))
BDBM50259308
PNG
(CHEMBL4068878)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O2/c1-32-21-14-12-20(13-15-21)26(31)29-24-25-28-23(19-10-6-3-7-11-19)17-30(25)16-22(27-24)18-8-4-2-5-9-18/h2-17H,1H3,(H,27,29,31)
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n/an/a 73n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...


Eur J Med Chem 125: 611-628 (2017)

More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259303
PNG
(CHEMBL4092103)
Show SMILES O=C(Nc1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14N4O/c24-19(15-9-5-2-6-10-15)22-17-18-21-16(13-23(18)12-11-20-17)14-7-3-1-4-8-14/h1-13H,(H,20,22,24)
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n/an/a 163n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...


Eur J Med Chem 125: 611-628 (2017)

More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259315
PNG
(CHEMBL4069012)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H17N5O/c30-24(19-12-7-13-25-14-19)28-22-23-27-21(18-10-5-2-6-11-18)16-29(23)15-20(26-22)17-8-3-1-4-9-17/h1-16H,(H,26,28,30)
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n/an/a 172n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Eur J Med Chem 125: 611-628 (2017)

More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259304
PNG
(CHEMBL4070079)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H18N4O2/c31-25(20-12-6-2-7-13-20)30(26(32)21-14-8-3-9-15-21)23-24-28-22(18-29(24)17-16-27-23)19-10-4-1-5-11-19/h1-18H
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n/an/a 187n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...


Eur J Med Chem 125: 611-628 (2017)

More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50259314
PNG
(CHEMBL4075640)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O/c30-25(20-14-8-3-9-15-20)28-23-24-27-22(19-12-6-2-7-13-19)17-29(24)16-21(26-23)18-10-4-1-5-11-18/h1-17H,(H,26,28,30)
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n/an/a 235n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...


Eur J Med Chem 125: 611-628 (2017)

More data for this
Ligand-Target Pair