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Articleid 50029559

Compile data set for download or QSAR
Found 12 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 A1


(Rattus norvegicus (rat))		BDBM50285553
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C15H16N6OS/c1-2-17-12(22)9-23-15-19-13(16)11-8-18-21(14(11)20-15)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,22)(H2,16,19,20)
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 12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50285555
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C13H12N6OS/c14-10(20)7-21-13-17-11(15)9-6-16-19(12(9)18-13)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,20)(H2,15,17,18)
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 29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50285555
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C13H12N6OS/c14-10(20)7-21-13-17-11(15)9-6-16-19(12(9)18-13)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,20)(H2,15,17,18)
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 45n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50285554
PNG
(3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)
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 101n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50285553
PNG
(2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C15H16N6OS/c1-2-17-12(22)9-23-15-19-13(16)11-8-18-21(14(11)20-15)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,22)(H2,16,19,20)
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 131n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50025708
PNG
(2-[6-(1-Carbamoyl-ethylsulfanyl)-1-phenyl-1H-pyraz...)
Show SMILES CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C17H18N6O2S2/c1-9(13(18)24)26-16-12-8-20-23(11-6-4-3-5-7-11)15(12)21-17(22-16)27-10(2)14(19)25/h3-10H,1-2H3,(H2,18,24)(H2,19,25)
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 146n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50025708
PNG
(2-[6-(1-Carbamoyl-ethylsulfanyl)-1-phenyl-1H-pyraz...)
Show SMILES CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O
Show InChI InChI=1S/C17H18N6O2S2/c1-9(13(18)24)26-16-12-8-20-23(11-6-4-3-5-7-11)15(12)21-17(22-16)27-10(2)14(19)25/h3-10H,1-2H3,(H2,18,24)(H2,19,25)
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 229n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50285554
PNG
(3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)
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 428n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50285552
PNG
(3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C16H18N6OS/c1-2-18-13(23)8-9-24-16-20-14(17)12-10-19-22(15(12)21-16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,23)(H2,17,20,21)
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 551n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50285552
PNG
(3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...)
Show SMILES CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C16H18N6OS/c1-2-18-13(23)8-9-24-16-20-14(17)12-10-19-22(15(12)21-16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,23)(H2,17,20,21)
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 1.28E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50009709
PNG
(4-Amino-5-butyl-1-(3-chloro-phenyl)-1,5-dihydro-py...)
Show SMILES CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
Show InChI InChI=1S/C15H16ClN5O/c1-2-3-7-20-13(17)12-9-18-21(14(12)19-15(20)22)11-6-4-5-10(16)8-11/h4-6,8-9H,2-3,7,17H2,1H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A1 receptor binding site

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50009709
PNG
(4-Amino-5-butyl-1-(3-chloro-phenyl)-1,5-dihydro-py...)
Show SMILES CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
Show InChI InChI=1S/C15H16ClN5O/c1-2-3-7-20-13(17)12-9-18-21(14(12)19-15(20)22)11-6-4-5-10(16)8-11/h4-6,8-9H,2-3,7,17H2,1H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Adenosine A2a receptor binding site

Bioorg Med Chem Lett 5: 2409-2412 (1995)


Article DOI: 10.1016/0960-894X(95)00420-X
BindingDB Entry DOI: 10.7270/Q2HT2P9M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%