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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'daluge' and Initial = 'sm'   
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 A2a/A2b


(Homo sapiens (Human))		BDBM82558
PNG
(CAS_163889 | CHEMBL355370 | I-ABOPX | NSC_163889)
Show SMILES CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
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 700n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50008405
PNG
(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
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 800n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023392
PNG
(CHEMBL349519 | {4-[3-(4-Amino-benzyl)-2,6-dioxo-1-...)
Show SMILES CCCn1c(=O)n(Cc2ccc(N)cc2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-22(31)19-21(28(23(27)32)12-14-3-7-16(24)8-4-14)26-20(25-19)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)
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 1.00E+3n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023391
PNG
(CHEMBL162814 | {4-[1-(4-Amino-3-iodo-benzyl)-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H22IN5O5/c1-2-9-28-21-19(22(32)29(23(28)33)11-13-3-8-17(25)16(24)10-13)26-20(27-21)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
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 1.80E+3n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023399
PNG
(CHEMBL162658 | {4-[3-(4-Azido-3-iodo-benzyl)-2,6-d...)
Show SMILES CCCn1c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H20IN7O5/c1-2-9-30-22(34)19-21(27-20(26-19)14-4-6-15(7-5-14)36-12-18(32)33)31(23(30)35)11-13-3-8-17(28-29-25)16(24)10-13/h3-8,10H,2,9,11-12H2,1H3,(H,26,27)(H,32,33)
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 2.10E+3n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023397
PNG
(CHEMBL162558 | {4-[1-(4-Azido-3-iodo-benzyl)-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H20IN7O5/c1-2-9-30-21-19(26-20(27-21)14-4-6-15(7-5-14)36-12-18(32)33)22(34)31(23(30)35)11-13-3-8-17(28-29-25)16(24)10-13/h3-8,10H,2,9,11-12H2,1H3,(H,26,27)(H,32,33)
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 5.30E+3n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023398
PNG
((4-{3-[2-(4-Amino-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H24IN5O5/c1-2-10-30-23(33)20-22(29(24(30)34)11-9-14-3-8-18(26)17(25)12-14)28-21(27-20)15-4-6-16(7-5-15)35-13-19(31)32/h3-8,12H,2,9-11,13,26H2,1H3,(H,27,28)(H,31,32)
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 5.30E+3n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023395
PNG
((4-{3-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H22IN7O5/c1-2-10-32-23(35)20-22(28-21(27-20)15-4-6-16(7-5-15)37-13-19(33)34)31(24(32)36)11-9-14-3-8-18(29-30-26)17(25)12-14/h3-8,12H,2,9-11,13H2,1H3,(H,27,28)(H,33,34)
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 5.40E+3n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023401
PNG
((4-{1-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-3-propy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H25N5O5/c1-2-12-28-22-20(23(32)29(24(28)33)13-11-15-3-7-17(25)8-4-15)26-21(27-22)16-5-9-18(10-6-16)34-14-19(30)31/h3-10H,2,11-14,25H2,1H3,(H,26,27)(H,30,31)
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 1.15E+4n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023396
PNG
((4-{3-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-1-propy...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H25N5O5/c1-2-12-29-23(32)20-22(28(24(29)33)13-11-15-3-7-17(25)8-4-15)27-21(26-20)16-5-9-18(10-6-16)34-14-19(30)31/h3-10H,2,11-14,25H2,1H3,(H,26,27)(H,30,31)
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 1.15E+4n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023394
PNG
((4-{1-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H22IN7O5/c1-2-10-31-22-20(27-21(28-22)15-4-6-16(7-5-15)37-13-19(33)34)23(35)32(24(31)36)11-9-14-3-8-18(29-30-26)17(25)12-14/h3-8,12H,2,9-11,13H2,1H3,(H,27,28)(H,33,34)
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 1.23E+4n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023402
PNG
((4-{1-[2-(4-Amino-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H24IN5O5/c1-2-10-29-22-20(27-21(28-22)15-4-6-16(7-5-15)35-13-19(31)32)23(33)30(24(29)34)11-9-14-3-8-18(26)17(25)12-14/h3-8,12H,2,9-11,13,26H2,1H3,(H,27,28)(H,31,32)
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 2.00E+4n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023390
PNG
(CHEMBL163574 | {4-[1-(4-Amino-benzyl)-2,6-dioxo-3-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-21-19(22(31)28(23(27)32)12-14-3-7-16(24)8-4-14)25-20(26-21)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)
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 2.30E+4n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Homo sapiens (Human))		BDBM50023400
PNG
((4-{1,3-Bis-[2-(4-amino-phenyl)-ethyl]-2,6-dioxo-2...)
Show SMILES Nc1ccc(CCn2c3[nH]c(nc3c(=O)n(CCc3ccc(N)cc3)c2=O)-c2ccc(OCC(O)=O)cc2)cc1
Show InChI InChI=1S/C29H28N6O5/c30-21-7-1-18(2-8-21)13-15-34-27-25(28(38)35(29(34)39)16-14-19-3-9-22(31)10-4-19)32-26(33-27)20-5-11-23(12-6-20)40-17-24(36)37/h1-12H,13-17,30-31H2,(H,32,33)(H,36,37)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367678
PNG
(CHEMBL605469)
Show SMILES CC(C)N(c1ccccc1)c1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(2)24(12-6-4-3-5-7-12)18-14-17(20-9-21-18)23(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-7,9-11,13,15-16,19,25-27H,8H2,1-2H3/t13-,15-,16-,19?/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82558
PNG
(CAS_163889 | CHEMBL355370 | I-ABOPX | NSC_163889)
Show SMILES CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
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n/an/a 3n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82558
PNG
(CAS_163889 | CHEMBL355370 | I-ABOPX | NSC_163889)
Show SMILES CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
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n/an/a 3n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50023392
PNG
(CHEMBL349519 | {4-[3-(4-Amino-benzyl)-2,6-dioxo-1-...)
Show SMILES CCCn1c(=O)n(Cc2ccc(N)cc2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-22(31)19-21(28(23(27)32)12-14-3-7-16(24)8-4-14)26-20(25-19)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)
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n/an/a 3.40n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50023390
PNG
(CHEMBL163574 | {4-[1-(4-Amino-benzyl)-2,6-dioxo-3-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-21-19(22(31)28(23(27)32)12-14-3-7-16(24)8-4-14)25-20(26-21)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)
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n/an/a 5.20n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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n/an/a 8.80n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50023396
PNG
((4-{3-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-1-propy...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H25N5O5/c1-2-12-29-23(32)20-22(28(24(29)33)13-11-15-3-7-17(25)8-4-15)27-21(26-20)16-5-9-18(10-6-16)34-14-19(30)31/h3-10H,2,11-14,25H2,1H3,(H,26,27)(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of photolabeling of 34 kDa polypeptide in adenosine A1 receptor

J Med Chem 31: 752-6 (1988)


BindingDB Entry DOI: 10.7270/Q28916FW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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n/an/a 18n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM81971
PNG
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)
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n/an/a 32n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50023396
PNG
((4-{3-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-1-propy...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H25N5O5/c1-2-12-29-23(32)20-22(28(24(29)33)13-11-15-3-7-17(25)8-4-15)27-21(26-20)16-5-9-18(10-6-16)34-14-19(30)31/h3-10H,2,11-14,25H2,1H3,(H,26,27)(H,30,31)
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n/an/a 37n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50023396
PNG
((4-{3-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-1-propy...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H25N5O5/c1-2-12-29-23(32)20-22(28(24(29)33)13-11-15-3-7-17(25)8-4-15)27-21(26-20)16-5-9-18(10-6-16)34-14-19(30)31/h3-10H,2,11-14,25H2,1H3,(H,26,27)(H,30,31)
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n/an/a 37n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50023390
PNG
(CHEMBL163574 | {4-[1-(4-Amino-benzyl)-2,6-dioxo-3-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-21-19(22(31)28(23(27)32)12-14-3-7-16(24)8-4-14)25-20(26-21)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)
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n/an/a 44n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM81971
PNG
(1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)
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n/an/a 48n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50023392
PNG
(CHEMBL349519 | {4-[3-(4-Amino-benzyl)-2,6-dioxo-1-...)
Show SMILES CCCn1c(=O)n(Cc2ccc(N)cc2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-22(31)19-21(28(23(27)32)12-14-3-7-16(24)8-4-14)26-20(25-19)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)
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n/an/a 64n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367678
PNG
(CHEMBL605469)
Show SMILES CC(C)N(c1ccccc1)c1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(2)24(12-6-4-3-5-7-12)18-14-17(20-9-21-18)23(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-7,9-11,13,15-16,19,25-27H,8H2,1-2H3/t13-,15-,16-,19?/m1/s1
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n/an/a 430n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of photolabeling of 34 kDa polypeptide in adenosine A1 receptor

J Med Chem 31: 752-6 (1988)


BindingDB Entry DOI: 10.7270/Q28916FW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 720n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50367678
PNG
(CHEMBL605469)
Show SMILES CC(C)N(c1ccccc1)c1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(2)24(12-6-4-3-5-7-12)18-14-17(20-9-21-18)23(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-7,9-11,13,15-16,19,25-27H,8H2,1-2H3/t13-,15-,16-,19?/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/a 2.46E+3n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of photolabeling of 34 kDa polypeptide in adenosine A1 receptor

J Med Chem 31: 752-6 (1988)


BindingDB Entry DOI: 10.7270/Q28916FW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor

J Med Chem 31: 752-6 (1988)


BindingDB Entry DOI: 10.7270/Q28916FW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of photolabeling of 34 kDa polypeptide in adenosine A1 receptor

J Med Chem 31: 752-6 (1988)


BindingDB Entry DOI: 10.7270/Q28916FW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor

J Med Chem 31: 752-6 (1988)


BindingDB Entry DOI: 10.7270/Q28916FW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023399
PNG
(CHEMBL162658 | {4-[3-(4-Azido-3-iodo-benzyl)-2,6-d...)
Show SMILES CCCn1c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H20IN7O5/c1-2-9-30-22(34)19-21(27-20(26-19)14-4-6-15(7-5-14)36-12-18(32)33)31(23(30)35)11-13-3-8-17(28-29-25)16(24)10-13/h3-8,10H,2,9,11-12H2,1H3,(H,26,27)(H,32,33)
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n/an/an/a 55n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [125-I]-labeled aminobenzyl adenosine in bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023402
PNG
((4-{1-[2-(4-Amino-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H24IN5O5/c1-2-10-29-22-20(27-21(28-22)15-4-6-16(7-5-15)35-13-19(31)32)23(33)30(24(29)34)11-9-14-3-8-18(26)17(25)12-14/h3-8,12H,2,9-11,13,26H2,1H3,(H,27,28)(H,31,32)
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n/an/an/a 3.10E+3n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023397
PNG
(CHEMBL162558 | {4-[1-(4-Azido-3-iodo-benzyl)-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H20IN7O5/c1-2-9-30-21-19(26-20(27-21)14-4-6-15(7-5-14)36-12-18(32)33)22(34)31(23(30)35)11-13-3-8-17(28-29-25)16(24)10-13/h3-8,10H,2,9,11-12H2,1H3,(H,26,27)(H,32,33)
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n/an/an/a 960n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor as inhibition of [125-I]-labeled aminobenzyl adenosine binding to bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023390
PNG
(CHEMBL163574 | {4-[1-(4-Amino-benzyl)-2,6-dioxo-3-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-21-19(22(31)28(23(27)32)12-14-3-7-16(24)8-4-14)25-20(26-21)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)
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n/an/an/a 44n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023398
PNG
((4-{3-[2-(4-Amino-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H24IN5O5/c1-2-10-30-23(33)20-22(29(24(30)34)11-9-14-3-8-18(26)17(25)12-14)28-21(27-20)15-4-6-16(7-5-15)35-13-19(31)32/h3-8,12H,2,9-11,13,26H2,1H3,(H,27,28)(H,31,32)
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n/an/an/a 29n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023394
PNG
((4-{1-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H22IN7O5/c1-2-10-31-22-20(27-21(28-22)15-4-6-16(7-5-15)37-13-19(33)34)23(35)32(24(31)36)11-9-14-3-8-18(29-30-26)17(25)12-14/h3-8,12H,2,9-11,13H2,1H3,(H,27,28)(H,33,34)
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n/an/an/a 2.86E+3n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor as inhibition of [125-I]-labeled aminobenzyl adenosine binding to bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023395
PNG
((4-{3-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H22IN7O5/c1-2-10-32-23(35)20-22(28-21(27-20)15-4-6-16(7-5-15)37-13-19(33)34)31(24(32)36)11-9-14-3-8-18(29-30-26)17(25)12-14/h3-8,12H,2,9-11,13H2,1H3,(H,27,28)(H,33,34)
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n/an/an/a 24n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023401
PNG
((4-{1-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-3-propy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H25N5O5/c1-2-12-28-22-20(23(32)29(24(28)33)13-11-15-3-7-17(25)8-4-15)26-21(27-22)16-5-9-18(10-6-16)34-14-19(30)31/h3-10H,2,11-14,25H2,1H3,(H,26,27)(H,30,31)
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n/an/an/a 2.30E+3n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023400
PNG
((4-{1,3-Bis-[2-(4-amino-phenyl)-ethyl]-2,6-dioxo-2...)
Show SMILES Nc1ccc(CCn2c3[nH]c(nc3c(=O)n(CCc3ccc(N)cc3)c2=O)-c2ccc(OCC(O)=O)cc2)cc1
Show InChI InChI=1S/C29H28N6O5/c30-21-7-1-18(2-8-21)13-15-34-27-25(28(38)35(29(34)39)16-14-19-3-9-22(31)10-4-19)32-26(33-27)20-5-11-23(12-6-20)40-17-24(36)37/h1-12H,13-17,30-31H2,(H,32,33)(H,36,37)
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n/an/an/a 3.59E+3n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM82558
PNG
(CAS_163889 | CHEMBL355370 | I-ABOPX | NSC_163889)
Show SMILES CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
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n/an/an/a 37n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023396
PNG
((4-{3-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-1-propy...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C24H25N5O5/c1-2-12-29-23(32)20-22(28(24(29)33)13-11-15-3-7-17(25)8-4-15)27-21(26-20)16-5-9-18(10-6-16)34-14-19(30)31/h3-10H,2,11-14,25H2,1H3,(H,26,27)(H,30,31)
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n/an/an/a 60n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50023392
PNG
(CHEMBL349519 | {4-[3-(4-Amino-benzyl)-2,6-dioxo-1-...)
Show SMILES CCCn1c(=O)n(Cc2ccc(N)cc2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-22(31)19-21(28(23(27)32)12-14-3-7-16(24)8-4-14)26-20(25-19)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)
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n/an/an/a 32n/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
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