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Compile Data Set for Download or QSAR

Found 539 hits of ec50 data for polymerid = 2129,49000132,49000137,49000138,49000139,49000144,5536,5768   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369168
PNG
(CHEMBL608918)
Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453224
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)
Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454422
PNG
(CHEMBL2113525)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12
Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8-/t17-,18+,19-,23+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50451006
PNG
(CHEMBL2112185)
Show SMILES OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(NC3CC4CC3[C@@H]3O[C@H]43)ncnc12
Show InChI InChI=1S/C17H21N5O5/c23-3-9-11(24)12(25)17(26-9)22-5-20-10-15(18-4-19-16(10)22)21-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,23-25H,1-3H2,(H,18,19,21)/t6?,7?,8?,9-,11-,12-,13+,14-,17-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Adenosine receptor agonistic activity against isoproterenol (1 uM) stimulated cAMP accumulation in DDT MF-2 cells


Bioorg Med Chem Lett 9: 933-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00109-2
BindingDB Entry DOI: 10.7270/Q22N52ST
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50205705
PNG
((2S,3S,4R)-5-((R)-6-amino-2-phenylethynyl-9H-purin...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454424
PNG
(CHEMBL2113527)
Show SMILES CCCC\C=C/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5-/t9-,12-,13-,16-/m1/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454423
PNG
(CHEMBL2113528)
Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454091
PNG
(CHEMBL2113450)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1
Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454421
PNG
(CHEMBL2113529)
Show SMILES CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H28N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-8H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50369167
PNG
(CHEMBL611256)
Show SMILES CCCC\C=C/c1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7-/t12-,13+,14-,18?/m0/s1
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n/an/an/an/a>1n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria


J Med Chem 39: 4211-7 (1996)


Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003646
PNG
(CHEMBL3235279)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N
Show InChI InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)
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n/an/an/an/a 1.10n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50451007
PNG
(CHEMBL2112106)
Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(NC3CC4CC3[C@H]3O[C@@H]43)ncnc12
Show InChI InChI=1S/C17H21N5O5/c23-3-9-11(24)12(25)17(26-9)22-5-20-10-15(18-4-19-16(10)22)21-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,23-25H,1-3H2,(H,18,19,21)/t6?,7?,8?,9-,11+,12+,13+,14-,17+/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Adenosine receptor agonistic activity against isoproterenol (1 uM) stimulated cAMP accumulation in DDT MF-2 cells


Bioorg Med Chem Lett 9: 933-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00109-2
BindingDB Entry DOI: 10.7270/Q22N52ST
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191838
PNG
(US9187428, 66)
Show SMILES OCCNC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C23H18N4O2S/c24-12-19-14-27-23(20(13-25)21(19)17-6-2-1-3-7-17)30-15-16-5-4-8-18(11-16)22(29)26-9-10-28/h1-8,11,14,28H,9-10,15H2,(H,26,29)
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US Patent
n/an/an/an/a 1.30n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117137
PNG
(CHEMBL3613124)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2cscn2)c1C#N
Show InChI InChI=1S/C18H13N5OS2/c1-24-13-4-2-11(3-5-13)16-14(6-19)17(21)23-18(15(16)7-20)26-9-12-8-25-10-22-12/h2-5,8,10H,9H2,1H3,(H2,21,23)
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n/an/an/an/a 1.5n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191803
PNG
(US9187428, 31)
Show SMILES CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1
Show InChI InChI=1S/C22H17N5O2S/c1-25-21(28)19-9-14(7-8-26-19)13-30-22-18(11-24)20(16(10-23)12-27-22)15-3-5-17(29-2)6-4-15/h3-9,12H,13H2,1-2H3,(H,25,28)
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US Patent
n/an/an/an/a 1.60n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003710
PNG
(CHEMBL3234964)
Show SMILES Nc1nc(SCc2csc(n2)N2CCOCC2)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C20H18N6O3S2/c21-8-14-17(12-1-2-15-16(7-12)29-11-28-15)24-19(25-18(14)22)30-9-13-10-31-20(23-13)26-3-5-27-6-4-26/h1-2,7,10H,3-6,9,11H2,(H2,22,24,25)
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n/an/an/an/a 1.80n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mi...


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117136
PNG
(CHEMBL3613125)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccc2)c1C#N
Show InChI InChI=1S/C24H17N5OS2/c1-30-18-9-7-15(8-10-18)21-19(11-25)22(27)29-24(20(21)12-26)32-14-17-13-31-23(28-17)16-5-3-2-4-6-16/h2-10,13H,14H2,1H3,(H2,27,29)
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n/an/an/an/a 1.90n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003699
PNG
(CHEMBL3234952)
Show SMILES COc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(n2)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C23H17N5O3S2/c1-29-16-5-2-13(3-6-16)22-26-15(10-32-22)11-33-23-27-20(17(9-24)21(25)28-23)14-4-7-18-19(8-14)31-12-30-18/h2-8,10H,11-12H2,1H3,(H2,25,27,28)
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n/an/an/an/a 1.90n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mi...


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117134
PNG
(CHEMBL3613126)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)N2CCOCC2)c1C#N
Show InChI InChI=1S/C22H20N6O2S2/c1-29-16-4-2-14(3-5-16)19-17(10-23)20(25)27-21(18(19)11-24)31-12-15-13-32-22(26-15)28-6-8-30-9-7-28/h2-5,13H,6-9,12H2,1H3,(H2,25,27)
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n/an/an/an/a 1.90n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50451381
PNG
(CHEMBL38779)
Show SMILES COc1ccc2-c3nc(N)sc3CCc2c1
Show InChI InChI=1S/C12H12N2OS.HI/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);1H
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n/an/an/an/a 2n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
AE maximal score at Adenosine A1 receptor


Bioorg Med Chem Lett 12: 1563-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00236-6
BindingDB Entry DOI: 10.7270/Q2833RBV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191846
PNG
(US9187428, 74)
Show SMILES CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1
Show InChI InChI=1S/C24H18F2N6O2S/c1-29-23(34)20-6-13(4-5-30-20)12-35-24-17(9-28)21(14-2-3-18(25)19(26)7-14)16(8-27)22(31-24)32-10-15(33)11-32/h2-7,15,33H,10-12H2,1H3,(H,29,34)
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n/an/an/an/a 2.40n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50366627
PNG
(CHEMBL3144087 | CHEMBL608223)
Show SMILES OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CC4C(=O)C5)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H23N5O5/c24-5-13-16(27)15(26)12(28-13)4-23-7-21-14-17(19-6-20-18(14)23)22-10-2-8-1-9(10)11(25)3-8/h6-10,12-13,15-16,24,26-27H,1-5H2,(H,19,20,22)/t8?,9?,10?,12?,13-,15+,16-/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Adenosine receptor agonistic activity against isoproterenol (1 uM) stimulated cAMP accumulation in DDT MF-2 cells


Bioorg Med Chem Lett 9: 933-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00109-2
BindingDB Entry DOI: 10.7270/Q22N52ST
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191828
PNG
(US9187428, 56)
Show SMILES CNC(=O)c1cc(ccn1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCC(F)(F)F)cc2)c1C#N
Show InChI InChI=1S/C24H19F3N6O2S/c1-13(15-7-8-32-19(9-15)22(34)31-2)36-23-18(11-29)20(17(10-28)21(30)33-23)14-3-5-16(6-4-14)35-12-24(25,26)27/h3-9,13H,12H2,1-2H3,(H2,30,33)(H,31,34)
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n/an/an/an/a 2.80n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117144
PNG
(CHEMBL3613119)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C24H16ClN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30)
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n/an/an/an/a 2.90n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191837
PNG
(US9187428, 65)
Show SMILES NC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1
Show InChI InChI=1S/C21H14N4OS/c22-10-17-12-25-21(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)20(24)26/h1-9,12H,13H2,(H2,24,26)
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n/an/an/an/a 3.30n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM191786
PNG
(US9187428, 14)
Show SMILES Nc1nc(SCc2cccc(c2)C(O)=O)c(C#N)c(-c2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C21H13FN4O2S/c22-15-6-4-13(5-7-15)18-16(9-23)19(25)26-20(17(18)10-24)29-11-12-2-1-3-14(8-12)21(27)28/h1-8H,11H2,(H2,25,26)(H,27,28)
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n/an/an/an/a 3.5n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078427
PNG
(CHEMBL3414941)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1S/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A1 receptor transfected in CHO cells assessed as inhibition of forskolin-induced adenylyl cyclase act...


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003649
PNG
(CHEMBL3234937)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N
Show InChI InChI=1S/C23H17ClN6OS2/c1-13(31)27-17-8-4-14(5-9-17)20-19(10-25)21(26)30-23(29-20)33-12-18-11-32-22(28-18)15-2-6-16(24)7-3-15/h2-9,11H,12H2,1H3,(H,27,31)(H2,26,29,30)
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n/an/an/an/a 3.90n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mi...


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
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 4.20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to human adenosine A1 receptor


J Med Chem 43: 2196-203 (2000)


Article DOI: 10.1021/jm9905965
BindingDB Entry DOI: 10.7270/Q2ZW1MM5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
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 4.60n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 10 mins by l...


J Med Chem 55: 6467-77 (2012)


Article DOI: 10.1021/jm3004834
BindingDB Entry DOI: 10.7270/Q21J9BX3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003708
PNG
(CHEMBL3234962)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccccc2)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C22H15N5O2S2/c23-9-16-19(14-6-7-17-18(8-14)29-12-28-17)26-22(27-20(16)24)31-11-15-10-30-21(25-15)13-4-2-1-3-5-13/h1-8,10H,11-12H2,(H2,24,26,27)
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n/an/an/an/a 4.60n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mi...


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003701
PNG
(CHEMBL3234954)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Br)cc2)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C22H14BrN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28)
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n/an/an/an/a 4.60n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mi...


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078428
PNG
(CHEMBL3414942)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc12
Show InChI InChI=1S/C19H25N9O3/c1-2-28-25-17(24-26-28)15-13(29)14(30)19(31-15)27-8-22-12-16(20-7-21-18(12)27)23-11-6-9-3-4-10(11)5-9/h7-11,13-15,19,29-30H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11+,13+,14-,15+,19-/m1/s1
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n/an/an/an/a 4.70n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A1 receptor transfected in CHO cells assessed as inhibition of forskolin-induced adenylyl cyclase act...


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003692
PNG
(CHEMBL3234945)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C22H14ClN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28)
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n/an/an/an/a 4.90n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mi...


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50315857
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...)
Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation in presence of 10 uM alloste...


J Med Chem 53: 3028-37 (2010)


Article DOI: 10.1021/jm901252a
BindingDB Entry DOI: 10.7270/Q20K28RD
More data for this
Ligand-Target Pair
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
Article DOI: 10.1021/jm00108a014
BindingDB Entry DOI: 10.7270/Q23N240H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50395126
PNG
(CHEMBL2163568)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCC[C@@H]3O)ncnc12
Show InChI InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1
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n/an/an/an/a 5.90n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 10 mins by l...


J Med Chem 55: 6467-77 (2012)


Article DOI: 10.1021/jm3004834
BindingDB Entry DOI: 10.7270/Q21J9BX3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
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 6.30n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 10 mins by l...


J Med Chem 55: 6467-77 (2012)


Article DOI: 10.1021/jm3004834
BindingDB Entry DOI: 10.7270/Q21J9BX3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50366624
PNG
(CHEMBL3144085 | CHEMBL608777)
Show SMILES OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CCC4O5)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H23N5O5/c23-5-12-15(25)14(24)11(27-12)4-22-7-20-13-16(18-6-19-17(13)22)21-9-3-8-1-2-10(9)26-8/h6-12,14-15,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11?,12-,14+,15-/m1/s1
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n/an/an/an/a 7.10n/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Adenosine receptor agonistic activity against isoproterenol (1 uM) stimulated cAMP accumulation in DDT MF-2 cells


Bioorg Med Chem Lett 9: 933-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00109-2
BindingDB Entry DOI: 10.7270/Q22N52ST
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078537
PNG
(CHEMBL3414945)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)nc(Cl)nc12
Show InChI InChI=1S/C16H20ClN9O4/c1-2-26-23-13(22-24-26)11-9(27)10(28)15(30-11)25-6-18-8-12(19-7-4-3-5-29-7)20-16(17)21-14(8)25/h6-7,9-11,15,27-28H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10+,11-,15+/m0/s1
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n/an/an/an/a 7.40n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A1 receptor transfected in CHO cells assessed as inhibition of forskolin-induced adenylyl cyclase act...


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117102
PNG
(CHEMBL3613135)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccn2)c1C#N
Show InChI InChI=1S/C23H16N6OS2/c1-30-16-7-5-14(6-8-16)20-17(10-24)21(26)29-22(18(20)11-25)31-12-15-13-32-23(28-15)19-4-2-3-9-27-19/h2-9,13H,12H2,1H3,(H2,26,29)
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n/an/an/an/a 7.60n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
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)


Article DOI: 10.1016/j.bmc.2007.09.035
BindingDB Entry DOI: 10.7270/Q2T43TXM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50366629
PNG
(CHEMBL3144086 | CHEMBL609070)
Show SMILES OC[C@H]1O[C@@H](Cn2cnc3c(NC4CC5CC4CC5O)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H25N5O5/c24-5-13-16(27)15(26)12(28-13)4-23-7-21-14-17(19-6-20-18(14)23)22-10-2-9-1-8(10)3-11(9)25/h6-13,15-16,24-27H,1-5H2,(H,19,20,22)/t8?,9?,10?,11?,12?,13-,15+,16-/m1/s1
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n/an/an/an/a 8n/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Adenosine receptor agonistic activity against isoproterenol (1 uM) stimulated cAMP accumulation in DDT MF-2 cells


Bioorg Med Chem Lett 9: 933-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00109-2
BindingDB Entry DOI: 10.7270/Q22N52ST
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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 8.20n/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Activitty at Adenosine A1 receptor of rat atria


J Med Chem 38: 3581-5 (1995)


Article DOI: 10.1021/jm00018a017
BindingDB Entry DOI: 10.7270/Q29C6Z2Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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 8.20n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atria


J Med Chem 37: 1720-6 (1994)


Article DOI: 10.1021/jm00037a024
BindingDB Entry DOI: 10.7270/Q2RX9CQ4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078426
PNG
(CHEMBL3414940)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12
Show InChI InChI=1S/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/m0/s1
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n/an/an/an/a 8.60n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A1 receptor transfected in CHO cells assessed as inhibition of forskolin-induced adenylyl cyclase act...


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078430
PNG
(CHEMBL3414944)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)ncnc12
Show InChI InChI=1S/C16H21N9O4/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(29-12)24-7-19-9-13(17-6-18-15(9)24)20-8-4-3-5-28-8/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,20)/t8?,10-,11+,12-,16+/m0/s1
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n/an/an/an/a 8.70n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A1 receptor transfected in CHO cells assessed as inhibition of forskolin-induced adenylyl cyclase act...


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50366630
PNG
(CHEMBL608219)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CC(O)C3C4)ncnc12
Show InChI InChI=1S/C17H23N5O5/c23-4-11-13(25)14(26)17(27-11)22-6-20-12-15(18-5-19-16(12)22)21-9-2-7-1-8(9)10(24)3-7/h5-11,13-14,17,23-26H,1-4H2,(H,18,19,21)/t7?,8?,9?,10?,11-,13-,14-,17?/m1/s1
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n/an/an/an/a 9.20n/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Adenosine receptor agonistic activity against isoproterenol (1 uM) stimulated cAMP accumulation in DDT MF-2 cells


Bioorg Med Chem Lett 9: 933-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00109-2
BindingDB Entry DOI: 10.7270/Q22N52ST
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003702
PNG
(CHEMBL3234955)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(I)cc2)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C22H14IN5O2S2/c23-14-4-1-12(2-5-14)21-26-15(9-31-21)10-32-22-27-19(16(8-24)20(25)28-22)13-3-6-17-18(7-13)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28)
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n/an/an/an/a 9.5n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mi...


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50078538
PNG
(CHEMBL3414946)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12
Show InChI InChI=1S/C18H17ClFN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-23-11-15(21-6-22-17(11)28)24-10-4-3-8(19)5-9(10)20/h3-7,12-14,18,30-31H,2H2,1H3,(H,21,22,24)/t12-,13+,14-,18+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adenosine A1 receptor transfected in CHO cells assessed as inhibition of forskolin-induced adenylyl cyclase act...


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
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