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PubMed code 10636237

Compile data set for download or QSAR
Found 10 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 A3


(Homo sapiens (Human))		BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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 0.650n/an/an/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50059376
PNG
(9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-...)
Show SMILES COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10|
Show InChI InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3
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 13n/an/an/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50059375
PNG
(5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimi...)
Show SMILES COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
Show InChI InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3
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 18n/an/an/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50053924
PNG
(3,6-Dichloro-2-(2-isopropoxy-4-methyl-phenyl)-chro...)
Show SMILES CC(C)Oc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
Show InChI InChI=1S/C19H16Cl2O3/c1-10(2)23-16-8-11(3)4-6-13(16)19-17(21)18(22)14-9-12(20)5-7-15(14)24-19/h4-10H,1-3H3
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 560n/an/an/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50084018
PNG
(2-Phenylacetylamino-4,7-dihydro-5H-thieno[2,3-c]py...)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H24N2O5S/c1-3-27-20(25)18-15-10-11-23(21(26)28-4-2)13-16(15)29-19(18)22-17(24)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,24)
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 600n/an/an/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50084019
PNG
(6,7-Dimethoxy-3-[4-(4-methoxy-phenyl)-thiazol-2-yl...)
Show SMILES COc1ccc(cc1)-c1csc(NC2OC(=O)c3c2ccc(OC)c3OC)n1
Show InChI InChI=1S/C20H18N2O5S/c1-24-12-6-4-11(5-7-12)14-10-28-20(21-14)22-18-13-8-9-15(25-2)17(26-3)16(13)19(23)27-18/h4-10,18H,1-3H3,(H,21,22)
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 1.30E+3n/an/an/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50084017
PNG
(CHEMBL326389 | {[(2-Benzoylamino-5-bromo-phenyl)-p...)
Show SMILES CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C24H23BrN2O3/c1-2-30-22(28)16-26-23(17-9-5-3-6-10-17)20-15-19(25)13-14-21(20)27-24(29)18-11-7-4-8-12-18/h3-15,23,26H,2,16H2,1H3,(H,27,29)
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 3.10E+3n/an/an/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibition of [35S]-GTP-gammaS, binding stimulated by 20 uM 5''-N-ethyluronamidoadenosine (NECA) in membranes of HEK-293 cells expressing human Adeno...

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50084018
PNG
(2-Phenylacetylamino-4,7-dihydro-5H-thieno[2,3-c]py...)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H24N2O5S/c1-3-27-20(25)18-15-10-11-23(21(26)28-4-2)13-16(15)29-19(18)22-17(24)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,24)
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n/an/a 186n/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibition of [35S]-GTP-gammaS, binding stimulated by 20 uM 5''-N-ethyluronamidoadenosine (NECA) in membranes of HEK-293 cells expressing human Adeno...

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50084019
PNG
(6,7-Dimethoxy-3-[4-(4-methoxy-phenyl)-thiazol-2-yl...)
Show SMILES COc1ccc(cc1)-c1csc(NC2OC(=O)c3c2ccc(OC)c3OC)n1
Show InChI InChI=1S/C20H18N2O5S/c1-24-12-6-4-11(5-7-12)14-10-28-20(21-14)22-18-13-8-9-15(25-2)17(26-3)16(13)19(23)27-18/h4-10,18H,1-3H3,(H,21,22)
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n/an/a 255n/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Adenosine A3 receptor

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50084017
PNG
(CHEMBL326389 | {[(2-Benzoylamino-5-bromo-phenyl)-p...)
Show SMILES CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C24H23BrN2O3/c1-2-30-22(28)16-26-23(17-9-5-3-6-10-17)20-15-19(25)13-14-21(20)27-24(29)18-11-7-4-8-12-18/h3-15,23,26H,2,16H2,1H3,(H,27,29)
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n/an/a 407n/an/an/an/an/an/a



ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibition of [35S]-GTP-gammaS, binding stimulated by 5 uM 5''-N-ethyluronamidoadenosine (NECA) in membranes of HEK-293 cells expressing human Adenos...

Bioorg Med Chem Lett 10: 31-4 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JC4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%