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Compile Data Set for Download or QSAR

Found 127 hits of ec50 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


(GUINEA PIG)
BDBM50421887
PNG
(CHEMBL2112181)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12
Show InChI InChI=1S/C18H23N5O5/c24-5-11-13(25)14(26)18(28-11)23-7-21-12-15(19-6-20-16(12)23)22-17(27)10-4-8-1-2-9(10)3-8/h6-11,13-14,18,24-26H,1-5H2,(H,19,20,22,27)/t8-,9+,10-,11+,13+,14+,18+/m0/s1
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n/an/an/an/a 5.40n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
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/an/an/a 7.90n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 16: 336-53 (2008)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
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/an/an/a 12.6n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(Mus musculus)
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at mouse adenosine A1 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP production pre...


J Med Chem 56: 5949-63 (2014)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50224759
PNG
((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1
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n/an/an/an/a 18.3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 16: 336-53 (2008)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50224766
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-tetrahyd...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1
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n/an/an/an/a 31.6n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 16: 336-53 (2008)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50367678
PNG
(CHEMBL605469)
Show SMILES CC(C)N(c1ccccc1)c1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
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/an/an/a 33.9n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50138530
PNG
((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1
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n/an/an/an/a 41n/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts


Bioorg Med Chem Lett 14: 3793-7 (2004)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
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/an/an/a 63.1n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50224760
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...)
Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1
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n/an/an/an/a 165n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 16: 336-53 (2008)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50009525
PNG
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 191n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50366924
PNG
(CHEMBL609539)
Show SMILES O[C@@H]1[C@@H](COc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H22FN5O5/c21-12-3-1-2-4-13(12)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,14-,16-,17-,20?/m1/s1
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n/an/an/an/a 200n/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts


Bioorg Med Chem Lett 14: 3793-7 (2004)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50224769
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-methylt...)
Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C18H25ClN6O4S/c1-18(27)12(26)10(7-28-17(30)20-2)29-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26-27H,3-7H2,1-2H3,(H,20,30)(H,22,23,24)/t10-,12-,15-,18-/m1/s1
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n/an/an/an/a 326n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 16: 336-53 (2008)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(Mus musculus)
BDBM50437188
PNG
(CHEMBL2401954)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C28H25ClN6O6S/c1-30-27(38)28-12-19(28)22(23(36)24(28)37)35-14-32-21-25(31-13-16-3-2-4-17(29)11-16)33-20(34-26(21)35)10-7-15-5-8-18(9-6-15)42(39,40)41/h2-6,8-9,11,14,19,22-24,36-37H,12-13H2,1H3,(H,30,38)(H,31,33,34)(H,39,40,41)/t19-,22-,23+,24+,28+/m1/s1
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n/an/an/an/a 495n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse adenosine A1 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP produc...


J Med Chem 56: 5949-63 (2014)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368463
PNG
(CHEMBL608175)
Show SMILES Nc1nc(N=NCc2cccc3ccccc23)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H21N7O4/c22-18-15-19(28(10-23-15)20-17(31)16(30)14(9-29)32-20)26-21(25-18)27-24-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10,14,16-17,20,29-31H,8-9H2,(H2,22,25,26)/t14-,16-,17-,20?/m1/s1
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n/an/an/an/a 832n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for adenosine A1 receptor agonistic activity by determining concentration needed to prolong the stimulus-QRS interval by 50% of the maximum re...


J Med Chem 35: 4562-6 (1993)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM82031
PNG
(2-Oxoado (isoguanosine) | CAS_1818-71-9 | isoguano...)
Show SMILES Nc1[nH]c(=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 1.15E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50267574
PNG
(CHEMBL489638 | N6-Tetrahydrofuranyl-9H-[5-deoxy-5-...)
Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H22FN5O4S/c21-12-3-1-2-4-14(12)31-8-13-16(27)17(28)20(30-13)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,13,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20-/m1/s1
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n/an/an/an/a 1.26E+3n/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts


Bioorg Med Chem Lett 14: 3793-7 (2004)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368251
PNG
(CHEMBL605879)
Show SMILES Nc1nc(OCCO)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C12H17N5O6/c13-9-6-10(16-12(15-9)22-2-1-18)17(4-14-6)11-8(21)7(20)5(3-19)23-11/h4-5,7-8,11,18-21H,1-3H2,(H2,13,15,16)/t5-,7-,8-,11?/m0/s1
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n/an/an/an/a 2.19E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50224762
PNG
(CHEMBL254483 | N6-(R)-3-tetrahydrofuranyl-9H-(2-C-...)
Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C17H24N6O5S/c1-17(25)12(24)10(6-27-16(29)18-2)28-15(17)23-8-21-11-13(19-7-20-14(11)23)22-9-3-4-26-5-9/h7-10,12,15,24-25H,3-6H2,1-2H3,(H,18,29)(H,19,20,22)/t9-,10-,12-,15-,17-/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 16: 336-53 (2008)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368472
PNG
(CHEMBL611920)
Show SMILES Nc1nc(N=NCc2ccc3ccccc3c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H21N7O4/c22-18-15-19(28(10-23-15)20-17(31)16(30)14(9-29)32-20)26-21(25-18)27-24-8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,10,14,16-17,20,29-31H,8-9H2,(H2,22,25,26)/t14-,16-,17-,20?/m1/s1
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n/an/an/an/a 2.63E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for adenosine A1 receptor agonistic activity by determining concentration needed to prolong the stimulus-QRS interval by 50% of the maximum re...


J Med Chem 35: 4562-6 (1993)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368264
PNG
(CHEMBL603588)
Show SMILES Nc1nc(OCCCCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H31N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)13(10-26)30-19)24-20(23-17)29-9-5-4-8-12-6-2-1-3-7-12/h11-13,15-16,19,26-28H,1-10H2,(H2,21,23,24)/t13-,15-,16-,19?/m0/s1
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n/an/an/an/a 2.63E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50224764
PNG
(2-chloro-2'-C-methyl-tecadenoson | CHEMBL400782)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O5/c1-15(24)10(23)8(4-22)26-13(15)21-6-17-9-11(18-7-2-3-25-5-7)19-14(16)20-12(9)21/h6-8,10,13,22-24H,2-5H2,1H3,(H,18,19,20)/t7-,8-,10-,13-,15-/m1/s1
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n/an/an/an/a 2.76E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 16: 336-53 (2008)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50138533
PNG
(CHEMBL150950 | Methyl-carbamic acid (2R,3R,5R)-3,4...)
Show SMILES CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C16H22N6O6/c1-17-16(25)27-5-9-11(23)12(24)15(28-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-26-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,25)(H,18,19,21)/t8?,9-,11-,12-,15?/m1/s1
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n/an/an/an/a 2.80E+3n/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts


Bioorg Med Chem Lett 14: 3793-7 (2004)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368485
PNG
(CHEMBL611609)
Show SMILES CC(N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C18H21N7O4/c1-9(10-5-3-2-4-6-10)23-24-18-21-15(19)12-16(22-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-6,8-9,11,13-14,17,26-28H,7H2,1H3,(H2,19,21,22)/t9?,11-,13-,14-,17?/m1/s1
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n/an/an/an/a 3.02E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for adenosine A1 receptor agonistic activity by determining concentration needed to prolong the stimulus-QRS interval by 50% of the maximum re...


J Med Chem 35: 4562-6 (1993)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 3.39E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the A1 adenosine receptor in langend...


J Med Chem 34: 1340-4 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 3.39E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50364045
PNG
(CHEMBL1950554)
Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1
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n/an/an/an/a 3.55E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro prolonging of the stimulus-QRS interval in guinea pig heart.


J Med Chem 35: 4557-61 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50224778
PNG
(2'-Me-tecadenoson | CHEMBL400190)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C15H21N5O5/c1-15(23)11(22)9(4-21)25-14(15)20-7-18-10-12(16-6-17-13(10)20)19-8-2-3-24-5-8/h6-9,11,14,21-23H,2-5H2,1H3,(H,16,17,19)/t8-,9-,11-,14-,15-/m1/s1
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n/an/an/an/a 3.62E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 16: 336-53 (2008)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50421974
PNG
(CHEMBL607873)
Show SMILES CCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C12H17N7O4/c1-2-15-18-12-16-9(13)6-10(17-12)19(4-14-6)11-8(22)7(21)5(3-20)23-11/h4-5,7-8,11,20-22H,2-3H2,1H3,(H2,13,16,17)/t5-,7-,8-,11?/m1/s1
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n/an/an/an/a 3.63E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro prolonging of the stimulus-QRS interval in guinea pig heart.


J Med Chem 35: 4557-61 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368250
PNG
(CHEMBL605254)
Show SMILES Nc1nc(OCCCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H29N5O5/c20-16-13-17(24(10-21-13)18-15(27)14(26)12(9-25)29-18)23-19(22-16)28-8-4-7-11-5-2-1-3-6-11/h10-12,14-15,18,25-27H,1-9H2,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1
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n/an/an/an/a 3.72E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368471
PNG
(CHEMBL608174)
Show SMILES CC(N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN7O4/c1-8(9-2-4-10(19)5-3-9)24-25-18-22-15(20)12-16(23-18)26(7-21-12)17-14(29)13(28)11(6-27)30-17/h2-5,7-8,11,13-14,17,27-29H,6H2,1H3,(H2,20,22,23)/t8?,11-,13-,14-,17?/m1/s1
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n/an/an/an/a 4.17E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for adenosine A1 receptor agonistic activity by determining concentration needed to prolong the stimulus-QRS interval by 50% of the maximum re...


J Med Chem 35: 4562-6 (1993)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368253
PNG
(CHEMBL603373)
Show SMILES CC1(C)C2CC1C(CC2)C(=O)CCOc1nc(N)c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C22H31N5O6/c1-22(2)10-3-4-11(12(22)7-10)13(29)5-6-32-21-25-18(23)15-19(26-21)27(9-24-15)20-17(31)16(30)14(8-28)33-20/h9-12,14,16-17,20,28,30-31H,3-8H2,1-2H3,(H2,23,25,26)/t10?,11?,12?,14-,16-,17-,20?/m0/s1
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n/an/an/an/a 4.47E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50406502
PNG
(CHEMBL604212)
Show SMILES Nc1nc(OCCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H27N5O5/c22-18-15-19(26(12-23-15)20-17(29)16(28)14(11-27)31-20)25-21(24-18)30-10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,12,14,16-17,20,27-29H,2,5-6,9-11H2,(H2,22,24,25)/t14-,16-,17-,20?/m0/s1
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n/an/an/an/a 4.57E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the A1 adenosine receptor in langend...


J Med Chem 34: 1340-4 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50224768
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-benzylc...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C24H29ClN6O5/c1-24(34)18(32)16(12-35-23(33)26-11-14-7-3-2-4-8-14)36-21(24)31-13-27-17-19(28-15-9-5-6-10-15)29-22(25)30-20(17)31/h2-4,7-8,13,15-16,18,21,32,34H,5-6,9-12H2,1H3,(H,26,33)(H,28,29,30)/t16-,18-,21-,24-/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem 16: 336-53 (2008)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50364062
PNG
(CHEMBL1950555)
Show SMILES COc1cc(OC)cc(c1)[C@@H](CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C
Show InChI InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20-,21-,23-,24-,27-/m1/s1
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n/an/an/an/a 5.62E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50406517
PNG
(CHEMBL606082)
Show SMILES Nc1nc(OCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H19N5O5/c18-14-11-15(21-17(20-14)26-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)27-16/h1-5,8,10,12-13,16,23-25H,6-7H2,(H2,18,20,21)/t10-,12-,13-,16?/m0/s1
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n/an/an/an/a 6.31E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langend...


J Med Chem 34: 1340-4 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50406505
PNG
(CHEMBL605257)
Show SMILES Nc1nc(OCCCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H25N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)13(10-26)30-19)24-20(23-17)29-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,15-16,19,26-28H,4-5,8-10H2,(H2,21,23,24)/t13-,15-,16-,19?/m0/s1
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n/an/an/an/a 7.08E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the A1 adenosine receptor in langend...


J Med Chem 34: 1340-4 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50421975
PNG
(CHEMBL611607)
Show SMILES Nc1nc(N=NCC2CCC=CC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H23N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h1-2,8-10,12-13,16,25-27H,3-7H2,(H2,18,21,22)/t9?,10-,12-,13-,16?/m1/s1
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n/an/an/an/a 7.24E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro prolonging of the stimulus-QRS interval in guinea pig heart.


J Med Chem 35: 4557-61 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368543
PNG
(CHEMBL605668)
Show SMILES Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1
Show InChI InChI=1S/C19H23N5O5/c1-10-2-4-11(5-3-10)6-7-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1
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n/an/an/an/a 7.41E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langend...


J Med Chem 34: 1340-4 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50406507
PNG
(CHEMBL604837)
Show SMILES Nc1nc(OCCc2cccc3ccccc23)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H23N5O5/c23-19-16-20(27(11-24-16)21-18(30)17(29)15(10-28)32-21)26-22(25-19)31-9-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,15,17-18,21,28-30H,8-10H2,(H2,23,25,26)/t15-,17-,18-,21?/m0/s1
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n/an/an/an/a 8.32E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the A1 adenosine receptor in langend...


J Med Chem 34: 1340-4 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368258
PNG
(CHEMBL606093)
Show SMILES Nc1nc(OCCC2CCCCC2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H27N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h9-11,13-14,17,24-26H,1-8H2,(H2,19,21,22)/t11-,13-,14-,17?/m0/s1
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n/an/an/an/a 8.71E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368261
PNG
(CHEMBL605247)
Show SMILES Nc1nc(OCCC(=O)[C@H]2CC3CCC2C3)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H27N5O6/c21-17-14-18(25(8-22-14)19-16(29)15(28)13(7-26)31-19)24-20(23-17)30-4-3-12(27)11-6-9-1-2-10(11)5-9/h8-11,13,15-16,19,26,28-29H,1-7H2,(H2,21,23,24)/t9?,10?,11-,13-,15-,16-,19?/m0/s1
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n/an/an/an/a 8.71E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368480
PNG
(CHEMBL607590)
Show SMILES CC(N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1cccs1
Show InChI InChI=1S/C16H19N7O4S/c1-7(9-3-2-4-28-9)21-22-16-19-13(17)10-14(20-16)23(6-18-10)15-12(26)11(25)8(5-24)27-15/h2-4,6-8,11-12,15,24-26H,5H2,1H3,(H2,17,19,20)/t7?,8-,11-,12-,15?/m1/s1
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n/an/an/an/a 8.91E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for adenosine A1 receptor agonistic activity by determining concentration needed to prolong the stimulus-QRS interval by 50% of the maximum re...


J Med Chem 35: 4562-6 (1993)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50421987
PNG
(CHEMBL611919)
Show SMILES CCC(CC)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H23N7O4/c1-3-7(4-2)20-21-15-18-12(16)9-13(19-15)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h6-8,10-11,14,23-25H,3-5H2,1-2H3,(H2,16,18,19)/t8-,10-,11-,14?/m1/s1
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n/an/an/an/a 8.91E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro prolonging of the stimulus-QRS interval in guinea pig heart.


J Med Chem 35: 4557-61 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50368487
PNG
(CHEMBL607508)
Show SMILES Nc1nc(N=NCc2cccc(F)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18FN7O4/c18-9-3-1-2-8(4-9)5-21-24-17-22-14(19)11-15(23-17)25(7-20-11)16-13(28)12(27)10(6-26)29-16/h1-4,7,10,12-13,16,26-28H,5-6H2,(H2,19,22,23)/t10-,12-,13-,16?/m1/s1
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n/an/an/an/a 9.12E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for adenosine A1 receptor agonistic activity by determining concentration needed to prolong the stimulus-QRS interval by 50% of the maximum re...


J Med Chem 35: 4562-6 (1993)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50421888
PNG
(CHEMBL2311198)
Show SMILES COc1nc(N)c2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1S/C11H15N5O5/c1-20-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m0/s1
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n/an/an/an/a 9.33E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation


J Med Chem 34: 1334-9 (1991)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50421982
PNG
(CHEMBL608663)
Show SMILES Nc1nc(N=NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H27N7O4/c19-15-12-16(25(9-20-12)17-14(28)13(27)11(8-26)29-17)23-18(22-15)24-21-7-6-10-4-2-1-3-5-10/h9-11,13-14,17,26-28H,1-8H2,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 9.77E+3n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro prolonging of the stimulus-QRS interval in guinea pig heart.


J Med Chem 35: 4557-61 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50421978
PNG
(CHEMBL611314)
Show SMILES CCC(CC)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H25N7O4/c1-3-8(4-2)5-19-22-16-20-13(17)10-14(21-16)23(7-18-10)15-12(26)11(25)9(6-24)27-15/h7-9,11-12,15,24-26H,3-6H2,1-2H3,(H2,17,20,21)/t9-,11-,12-,15?/m1/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro prolonging of the stimulus-QRS interval in guinea pig heart.


J Med Chem 35: 4557-61 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50406504
PNG
(CHEMBL605878)
Show SMILES Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H23N5O5/c23-19-16-20(27(11-24-16)21-18(30)17(29)15(10-28)32-21)26-22(25-19)31-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11,15,17-18,21,28-30H,7-8,10H2,(H2,23,25,26)/t15-,17-,18-,21?/m0/s1
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n/an/an/an/a 1.15E+4n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langend...


J Med Chem 34: 1340-4 (1991)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50421979
PNG
(CHEMBL607585)
Show SMILES CCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H21N7O4/c1-2-3-4-17-20-14-18-11(15)8-12(19-14)21(6-16-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,22-24H,2-5H2,1H3,(H2,15,18,19)/t7-,9-,10-,13?/m1/s1
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n/an/an/an/a 1.15E+4n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro prolonging of the stimulus-QRS interval in guinea pig heart.


J Med Chem 35: 4557-61 (1993)

More data for this
Ligand-Target Pair
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