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PubMed code 1469688

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368473
PNG
(CHEMBL607797)
Show SMILES Nc1nc(N=NCc2cc(Br)cs2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H16BrN7O4S/c16-6-1-7(28-4-6)2-19-22-15-20-12(17)9-13(21-15)23(5-18-9)14-11(26)10(25)8(3-24)27-14/h1,4-5,8,10-11,14,24-26H,2-3H2,(H2,17,20,21)/t8-,10-,11-,14?/m1/s1
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n/an/an/an/a 5.75E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368492
PNG
(CHEMBL607798)
Show SMILES Nc1nc(N=NCc2ccncc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H18N8O4/c17-13-10-14(22-16(21-13)23-20-5-8-1-3-18-4-2-8)24(7-19-10)15-12(27)11(26)9(6-25)28-15/h1-4,7,9,11-12,15,25-27H,5-6H2,(H2,17,21,22)/t9-,11-,12-,15?/m1/s1
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n/an/an/an/a 2.63E+4n/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...

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More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368486
PNG
(CHEMBL608668)
Show SMILES Cc1ccccc1CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 4.37E+4n/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...

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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...

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More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368470
PNG
(CHEMBL607891)
Show SMILES Nc1nc(N=NCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N7O4/c20-16-13-17(26(10-21-13)18-15(29)14(28)12(9-27)30-18)24-19(23-16)25-22-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,27-29H,4,7-9H2,(H2,20,23,24)/t12-,14-,15-,18?/m1/s1
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n/an/an/an/a 6.61E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368475
PNG
(CHEMBL608745)
Show SMILES Nc1nc(N=NCc2ccc(Cl)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18ClN7O4/c18-9-3-1-8(2-4-9)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 1.41E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368483
PNG
(CHEMBL607605)
Show SMILES Nc1nc(N=NCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18ClN7O4/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 4.90E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50009530
PNG
(3-(4-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-...)
Show SMILES Nc1nc(NCCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H26N6O6/c22-18-15-19(27(10-24-15)20-17(32)16(31)13(9-28)33-20)26-21(25-18)23-8-7-12-3-1-11(2-4-12)5-6-14(29)30/h1-4,10,13,16-17,20,28,31-32H,5-9H2,(H,29,30)(H3,22,23,25,26)/t13-,16-,17-,20?/m1/s1
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n/an/an/an/a 1.12E+5n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368478
PNG
(CHEMBL610444)
Show SMILES NNc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C10H15N7O4/c11-7-4-8(15-10(14-7)16-12)17(2-13-4)9-6(20)5(19)3(1-18)21-9/h2-3,5-6,9,18-20H,1,12H2,(H3,11,14,15,16)/t3-,5-,6-,9?/m1/s1
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n/an/an/an/a 2.00E+4n/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...

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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...

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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...

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More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368476
PNG
(CHEMBL608448)
Show SMILES Nc1nc(N=NCc2ccccc2F)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18FN7O4/c18-9-4-2-1-3-8(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 4.17E+4n/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...

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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...

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


(GUINEA PIG)		BDBM50368465
PNG
(CHEMBL608451)
Show SMILES COc1cccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
Show InChI InChI=1S/C18H21N7O5/c1-29-10-4-2-3-9(5-10)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)30-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 1.95E+4n/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...

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More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368491
PNG
(CHEMBL610445)
Show SMILES Nc1nc(N=NCc2ccsc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H17N7O4S/c16-12-9-13(20-15(19-12)21-18-3-7-1-2-27-5-7)22(6-17-9)14-11(25)10(24)8(4-23)26-14/h1-2,5-6,8,10-11,14,23-25H,3-4H2,(H2,16,19,20)/t8-,10-,11-,14?/m1/s1
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n/an/an/an/a 6.03E+4n/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...

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


(GUINEA PIG)		BDBM50368490
PNG
(CHEMBL607874)
Show SMILES Nc1nc(N=NCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19N7O4/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/h1-5,8,10,12-13,16,25-27H,6-7H2,(H2,18,21,22)/t10-,12-,13-,16?/m1/s1
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n/an/an/an/a 8.32E+4n/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...

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More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368484
PNG
(CHEMBL607872)
Show SMILES CC(C)(C)OC(=O)CCc1ccc(CCNc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C25H34N6O6/c1-25(2,3)37-17(33)9-8-14-4-6-15(7-5-14)10-11-27-24-29-21(26)18-22(30-24)31(13-28-18)23-20(35)19(34)16(12-32)36-23/h4-7,13,16,19-20,23,32,34-35H,8-12H2,1-3H3,(H3,26,27,29,30)/t16-,19-,20-,23?/m1/s1
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n/an/an/an/a 1.91E+4n/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...

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More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368474
PNG
(CHEMBL608167)
Show SMILES COc1ccccc1CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H21N7O5/c1-29-10-5-3-2-4-9(10)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)30-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 1.23E+4n/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...

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


(GUINEA PIG)		BDBM50368466
PNG
(CHEMBL611947)
Show SMILES Nc1nc(N=NCc2ccc(F)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18FN7O4/c18-9-3-1-8(2-4-9)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 1.26E+4n/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...

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


(GUINEA PIG)		BDBM50368469
PNG
(CHEMBL609338)
Show SMILES Nc1nc(N=NCc2ccccc2Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18ClN7O4/c18-9-4-2-1-3-8(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 4.90E+4n/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...

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


(GUINEA PIG)		BDBM50368488
PNG
(CHEMBL611610)
Show SMILES COc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C18H21N7O5/c1-29-10-4-2-9(3-5-10)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)30-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 2.29E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368464
PNG
(CHEMBL608176)
Show SMILES Nc1nc(N=NCc2cccs2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H17N7O4S/c16-12-9-13(20-15(19-12)21-18-4-7-2-1-3-27-7)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h1-3,6,8,10-11,14,23-25H,4-5H2,(H2,16,19,20)/t8-,10-,11-,14?/m1/s1
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n/an/an/an/a 4.17E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368489
PNG
(CHEMBL611571)
Show SMILES Cc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C18H21N7O4/c1-9-2-4-10(5-3-9)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 3.98E+4n/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...

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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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368467
PNG
(CHEMBL607886)
Show SMILES CC(C)(C)OC(=O)CCc1ccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C24H31N7O6/c1-24(2,3)37-16(33)9-8-13-4-6-14(7-5-13)10-27-30-23-28-20(25)17-21(29-23)31(12-26-17)22-19(35)18(34)15(11-32)36-22/h4-7,12,15,18-19,22,32,34-35H,8-11H2,1-3H3,(H2,25,28,29)/t15-,18-,19-,22?/m1/s1
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n/an/an/an/a 1.20E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368477
PNG
(CHEMBL607592)
Show SMILES Nc1nc(N=NCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N7O4/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/h1-5,9,11,13-14,17,26-28H,6-8H2,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 8.32E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368468
PNG
(CHEMBL607511)
Show SMILES Cc1cccc(CN=Nc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
Show InChI InChI=1S/C18H21N7O4/c1-9-3-2-4-10(5-9)6-21-24-18-22-15(19)12-16(23-18)25(8-20-12)17-14(28)13(27)11(7-26)29-17/h2-5,8,11,13-14,17,26-28H,6-7H2,1H3,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 1.70E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368481
PNG
(CHEMBL607604)
Show SMILES Nc1nc(N=NCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H23N7O6/c21-17-14-18(27(9-22-14)19-16(32)15(31)12(8-28)33-19)25-20(24-17)26-23-7-11-3-1-10(2-4-11)5-6-13(29)30/h1-4,9,12,15-16,19,28,31-32H,5-8H2,(H,29,30)(H2,21,24,25)/t12-,15-,16-,19?/m1/s1
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n/an/an/an/a 3.09E+4n/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...

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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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368479
PNG
(CHEMBL611918)
Show SMILES Nc1nc(N=NCc2ccccn2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H18N8O4/c17-13-10-14(22-16(21-13)23-20-5-8-3-1-2-4-18-8)24(7-19-10)15-12(27)11(26)9(6-25)28-15/h1-4,7,9,11-12,15,25-27H,5-6H2,(H2,17,21,22)/t9-,11-,12-,15?/m1/s1
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n/an/an/an/a 4.17E+4n/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...

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Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)		BDBM50368482
PNG
(CHEMBL608447)
Show SMILES Nc1nc(N=NCc2cccnc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H18N8O4/c17-13-10-14(22-16(21-13)23-20-5-8-2-1-3-18-4-8)24(7-19-10)15-12(27)11(26)9(6-25)28-15/h1-4,7,9,11-12,15,25-27H,5-6H2,(H2,17,21,22)/t9-,11-,12-,15?/m1/s1
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n/an/an/an/a 3.24E+4n/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...

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Ligand-Target Pair
* indicates data uncertainty>20%