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Compile Data Set for Download or QSAR

Found 14 hits of kd data for polymerid = 49000132,49000138,50001754   
Target
(Institution)
LigandTarget
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
Adenosine A1 receptor


(BOVINE)
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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n/an/an/a 17n/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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
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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n/an/an/a 160n/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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(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)

More data for this
Ligand-Target Pair