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Compile Data Set for Download or QSAR

Found 518 hits with Last Name = 'deninno' and Initial = 'mp'   
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
D(1A) dopamine receptor


(RAT)		BDBM50007137
PNG
(1-Aminomethyl-3-(3-hydroxy-phenyl)-isochroman-5,6-...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1cccc(O)c1
Show InChI InChI=1S/C16H17NO4/c17-8-15-11-4-5-13(19)16(20)12(11)7-14(21-15)9-2-1-3-10(18)6-9/h1-6,14-15,18-20H,7-8,17H2/t14?,15-/m0/s1
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 0.490n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007129
PNG
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]N-(p-aminophenethyl)-spiroperidol from Dopamine receptor D2 in rat caudate...

J Med Chem 33: 2948-50 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3N4J
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007129
PNG
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007129
PNG
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)

J Med Chem 33: 2948-50 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3N4J
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50122928
PNG
(5-{6-[5-Chloro-2-(3-methyl-isoxazol-5-ylmethoxy)-b...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
Show InChI InChI=1S/C23H24ClN7O6/c1-11-5-14(37-30-11)8-35-15-4-3-13(24)6-12(15)7-26-20-16-21(28-9-27-20)31(10-29-16)23-18(33)17(32)19(36-23)22(34)25-2/h3-6,9-10,17-19,23,32-33H,7-8H2,1-2H3,(H,25,34)(H,26,27,28)/t17-,18+,19-,23+/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007129
PNG
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)

J Med Chem 33: 2948-50 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3N4J
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182312
PNG
((2S,3S,4R,5R)-5-(6-(3,5-dichlorobenzylamino)-9H-pu...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)cc(Cl)c3)ncnc12
Show InChI InChI=1S/C18H18Cl2N6O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-9(19)4-10(20)3-8/h2-4,6-7,12-14,18,27-28H,5H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1
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 2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007134
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14?,15-/m0/s1
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 3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182322
PNG
((2S,3S,4R,5R)-5-(6-(2,5-dimethoxybenzylamino)-9H-p...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(OC)ccc3OC)ncnc12
Show InChI InChI=1S/C20H24N6O6/c1-21-19(29)16-14(27)15(28)20(32-16)26-9-25-13-17(23-8-24-18(13)26)22-7-10-6-11(30-2)4-5-12(10)31-3/h4-6,8-9,14-16,20,27-28H,7H2,1-3H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1
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 3.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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 4.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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 4.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50122927
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methyla...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-13-9-5-10(16-3-15-9)18(4-17-5)12-7(20)6(19)8(22-12)11(21)14-2/h3-4,6-8,12,19-20H,1-2H3,(H,14,21)(H,13,15,16)/t6-,7+,8-,12+/m0/s1
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 4.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50122927
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methyla...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-13-9-5-10(16-3-15-9)18(4-17-5)12-7(20)6(19)8(22-12)11(21)14-2/h3-4,6-8,12,19-20H,1-2H3,(H,14,21)(H,13,15,16)/t6-,7+,8-,12+/m0/s1
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 4.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007148
PNG
(1-Aminomethyl-3-cyclohexyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C16H23NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h6-7,10,14-15,18-19H,1-5,8-9,17H2/t14?,15-/m0/s1
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 5.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50122926
PNG
(3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylme...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
Show InChI InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1
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 5.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182326
PNG
((2S,3S,4R,5R)-5-(6-(2-(2-amino-2-oxoethoxy)-5-chlo...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(N)=O)ncnc12
Show InChI InChI=1S/C20H23ClN8O5/c1-24-19(32)16-13(23)15(31)20(34-16)29-8-28-14-17(26-7-27-18(14)29)25-5-9-4-10(21)2-3-11(9)33-6-12(22)30/h2-4,7-8,13,15-16,20,31H,5-6,23H2,1H3,(H2,22,30)(H,24,32)(H,25,26,27)/t13-,15+,16-,20+/m0/s1
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 6.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182313
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-(4-(dimethylamin...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCC(CC3)N(C)C)ncnc12
Show InChI InChI=1S/C27H36ClN9O5/c1-30-26(40)23-20(29)22(39)27(42-23)37-14-34-21-24(32-13-33-25(21)37)31-11-15-10-16(28)4-5-18(15)41-12-19(38)36-8-6-17(7-9-36)35(2)3/h4-5,10,13-14,17,20,22-23,27,39H,6-9,11-12,29H2,1-3H3,(H,30,40)(H,31,32,33)/t20-,22+,23-,27+/m0/s1
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 9.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182324
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-oxo-2-(piperazin...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCNCC3)ncnc12
Show InChI InChI=1S/C24H30ClN9O5/c1-27-23(37)20-17(26)19(36)24(39-20)34-12-32-18-21(30-11-31-22(18)34)29-9-13-8-14(25)2-3-15(13)38-10-16(35)33-6-4-28-5-7-33/h2-3,8,11-12,17,19-20,24,28,36H,4-7,9-10,26H2,1H3,(H,27,37)(H,29,30,31)/t17-,19+,20-,24+/m0/s1
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 9.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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 14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007125
PNG
(3-Cyclohexyl-1-methylaminomethyl-isochroman-5,6-di...)
Show SMILES CNC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
Show InChI InChI=1S/C17H25NO3/c1-18-10-16-12-7-8-14(19)17(20)13(12)9-15(21-16)11-5-3-2-4-6-11/h7-8,11,15-16,18-20H,2-6,9-10H2,1H3/t15?,16-/m0/s1
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 14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007152
PNG
(1-Aminomethyl-3-(4-iodo-phenyl)-isochroman-5,6-dio...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccc(I)cc1
Show InChI InChI=1S/C16H16INO3/c17-10-3-1-9(2-4-10)14-7-12-11(15(8-18)21-14)5-6-13(19)16(12)20/h1-6,14-15,19-20H,7-8,18H2/t14?,15-/m0/s1
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 14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182323
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
Show InChI InChI=1S/C19H22ClN7O4/c1-22-18(29)15-12(21)14(28)19(31-15)27-8-26-13-16(24-7-25-17(13)27)23-6-9-5-10(20)3-4-11(9)30-2/h3-5,7-8,12,14-15,19,28H,6,21H2,1-2H3,(H,22,29)(H,23,24,25)/t12-,14+,15-,19+/m0/s1
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 15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182321
PNG
((2S,3S,4R,5R)-5-(6-(2-(benzyloxy)-5-chlorobenzylam...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3ccccc3)ncnc12
Show InChI InChI=1S/C25H26ClN7O4/c1-28-24(35)21-18(27)20(34)25(37-21)33-13-32-19-22(30-12-31-23(19)33)29-10-15-9-16(26)7-8-17(15)36-11-14-5-3-2-4-6-14/h2-9,12-13,18,20-21,25,34H,10-11,27H2,1H3,(H,28,35)(H,29,30,31)/t18-,20+,21-,25+/m0/s1
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 16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182311
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-oxo-2-(piperidin...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCCCC3)ncnc12
Show InChI InChI=1S/C25H31ClN8O5/c1-28-24(37)21-18(27)20(36)25(39-21)34-13-32-19-22(30-12-31-23(19)34)29-10-14-9-15(26)5-6-16(14)38-11-17(35)33-7-3-2-4-8-33/h5-6,9,12-13,18,20-21,25,36H,2-4,7-8,10-11,27H2,1H3,(H,28,37)(H,29,30,31)/t18-,20+,21-,25+/m0/s1
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 18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r|
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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 20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182318
PNG
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-morpholino-2-oxo...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCOCC3)ncnc12
Show InChI InChI=1S/C24H29ClN8O6/c1-27-23(36)20-17(26)19(35)24(39-20)33-12-31-18-21(29-11-30-22(18)33)28-9-13-8-14(25)2-3-15(13)38-10-16(34)32-4-6-37-7-5-32/h2-3,8,11-12,17,19-20,24,35H,4-7,9-10,26H2,1H3,(H,27,36)(H,28,29,30)/t17-,19+,20-,24+/m0/s1
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 20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50341309
PNG
(CHEMBL1766081 | isopropyl 4-(5-methyl-6-(2-methylp...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C
Show InChI InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3
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 23n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...

J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182325
PNG
((2S,3S,4R,5R)-5-(6-(3,5-dichlorobenzylamino)-9H-pu...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)cc(Cl)c3)ncnc12
Show InChI InChI=1S/C18H19Cl2N7O3/c1-22-17(29)14-11(21)13(28)18(30-14)27-7-26-12-15(24-6-25-16(12)27)23-5-8-2-9(19)4-10(20)3-8/h2-4,6-7,11,13-14,18,28H,5,21H2,1H3,(H,22,29)(H,23,24,25)/t11-,13+,14-,18+/m0/s1
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 25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007149
PNG
(1-Aminomethyl-3-cyclopentylmethyl-isochroman-5,6-d...)
Show SMILES NC[C@@H]1OC(CC2CCCC2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C16H23NO3/c17-9-15-12-5-6-14(18)16(19)13(12)8-11(20-15)7-10-3-1-2-4-10/h5-6,10-11,15,18-19H,1-4,7-9,17H2/t11?,15-/m0/s1
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 30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007147
PNG
(3-Adamantan-1-yl-1-aminomethyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:21:16:23:22.20.19,21:20:23:15.16.17|
Show InChI InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12+,13-,17-,18?,20?/m0/s1
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 32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007126
PNG
(1-Aminomethyl-3-tert-butyl-isochroman-5,6-diol | C...)
Show SMILES CC(C)(C)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
Show InChI InChI=1S/C14H21NO3/c1-14(2,3)12-6-9-8(11(7-15)18-12)4-5-10(16)13(9)17/h4-5,11-12,16-17H,6-7,15H2,1-3H3/t11-,12?/m0/s1
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 32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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 33n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...

J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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 33n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...

J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50007129
PNG
((1R,3S)-1-Aminomethyl-3-phenyl-isochroman-5,6-diol...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
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 40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor using [3H]rauwolscine as radioligand in competitive binding assay

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007123
PNG
(1-Aminomethyl-3-(4-bromo-phenyl)-isochroman-5,6-di...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrNO3/c17-10-3-1-9(2-4-10)14-7-12-11(15(8-18)21-14)5-6-13(19)16(12)20/h1-6,14-15,19-20H,7-8,18H2/t14?,15-/m0/s1
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 52n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182320
PNG
((2S,4R,5R)-4-hydroxy-N-methyl-5-(6-(methylamino)-9...)
Show SMILES CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC)ncnc12
Show InChI InChI=1S/C12H16N6O3/c1-13-9-8-10(16-4-15-9)18(5-17-8)12-6(19)3-7(21-12)11(20)14-2/h4-7,12,19H,3H2,1-2H3,(H,14,20)(H,13,15,16)/t6-,7+,12-/m1/s1
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 59n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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 64n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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 64n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe

J Med Chem 33: 2948-50 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3N4J
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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 64n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)

J Med Chem 33: 2948-50 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3N4J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50122927
PNG
((2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methyla...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-13-9-5-10(16-3-15-9)18(4-17-5)12-7(20)6(19)8(22-12)11(21)14-2/h3-4,6-8,12,19-20H,1-2H3,(H,14,21)(H,13,15,16)/t6-,7+,8-,12+/m0/s1
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 65n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50122928
PNG
(5-{6-[5-Chloro-2-(3-methyl-isoxazol-5-ylmethoxy)-b...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12
Show InChI InChI=1S/C23H24ClN7O6/c1-11-5-14(37-30-11)8-35-15-4-3-13(24)6-12(15)7-26-20-16-21(28-9-27-20)31(10-29-16)23-18(33)17(32)19(36-23)22(34)25-2/h3-6,9-10,17-19,23,32-33H,7-8H2,1-2H3,(H,25,34)(H,26,27,28)/t17-,18+,19-,23+/m0/s1
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 68n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50122929
PNG
(3-Amino-4-hydroxy-5-[6-(3-iodo-benzylamino)-purin-...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H20IN7O3/c1-21-17(28)14-11(20)13(27)18(29-14)26-8-25-12-15(23-7-24-16(12)26)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,27H,6,20H2,1H3,(H,21,28)(H,22,23,24)/t11-,13+,14-,18+/m0/s1
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 72n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50182317
PNG
((2S,3S,5R)-3-hydroxy-N-methyl-5-(6-(methylamino)-9...)
Show SMILES CNC(=O)[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC)ncnc12
Show InChI InChI=1S/C12H16N6O3/c1-13-10-8-11(16-4-15-10)18(5-17-8)7-3-6(19)9(21-7)12(20)14-2/h4-7,9,19H,3H2,1-2H3,(H,14,20)(H,13,15,16)/t6-,7+,9-/m0/s1
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 87n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50007127
PNG
(1-Aminomethyl-3-cyclooctyl-isochroman-5,6-diol | C...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCCCC1
Show InChI InChI=1S/C18H27NO3/c19-11-17-13-8-9-15(20)18(21)14(13)10-16(22-17)12-6-4-2-1-3-5-7-12/h8-9,12,16-17,20-21H,1-7,10-11,19H2/t16?,17-/m0/s1
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 89n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
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 99n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50122930
PNG
((2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-(6-(met...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NC)ncnc12
Show InChI InChI=1S/C12H17N7O3/c1-14-9-6-10(17-3-16-9)19(4-18-6)12-7(20)5(13)8(22-12)11(21)15-2/h3-5,7-8,12,20H,13H2,1-2H3,(H,15,21)(H,14,16,17)/t5-,7+,8-,12+/m0/s1
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 120n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor

J Med Chem 46: 353-5 (2003)


Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50122930
PNG
((2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-(6-(met...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NC)ncnc12
Show InChI InChI=1S/C12H17N7O3/c1-14-9-6-10(17-3-16-9)19(4-18-6)12-7(20)5(13)8(22-12)11(21)15-2/h3-5,7-8,12,20H,13H2,1-2H3,(H,15,21)(H,14,16,17)/t5-,7+,8-,12+/m0/s1
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 120n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor

Bioorg Med Chem Lett 16: 2525-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50007134
PNG
(1-Aminomethyl-3-phenyl-isochroman-5,6-diol | CHEMB...)
Show SMILES NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccccc1
Show InChI InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14?,15-/m0/s1
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 122n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor using [3H]rauwolscine as radioligand in competitive binding assay

J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Rattus norvegicus)		BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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 125n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...

J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Rattus norvegicus)		BDBM50341310
PNG
(CHEMBL1766082 | Isopropyl 9-anti-({5-Methyl-6-[(2-...)
Show SMILES CC(C)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Oc2cccnc2C)c1C |TLB:15:14:9.10.11:13.6.7|
Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3
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 125n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methyl...

J Med Chem 54: 1948-52 (2011)


Article DOI: 10.1021/jm200003p
BindingDB Entry DOI: 10.7270/Q2CZ37G0
More data for this
Ligand-Target Pair
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