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Compile Data Set for Download or QSAR

Found 9067 hits of ki 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
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine A1 receptor


(BOVINE)
BDBM50006730
PNG
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
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0.0300n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(Homo sapiens (human))
BDBM50315544
PNG
(8-(2-Thioxo-7(3-p-chlorophenyl.)-2-(2-furyl)thiazo...)
Show SMILES Clc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H
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PubMed
0.0300n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


Bioorg Med Chem 18: 2491-500 (2010)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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0.0300n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.0500n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.0700n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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0.0800n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
ADORA1


(Sheep)
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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0.0900n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM50062858
PNG
(8-Cyclopentyl-3-(2-fluoro-propyl)-1-propyl-3,7-dih...)
Show SMILES CCCn1c(=O)n(CC(C)F)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H23FN4O2/c1-3-8-20-15(22)12-14(21(16(20)23)9-10(2)17)19-13(18-12)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19)
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0.0940n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50315538
PNG
(8-(2-Thioxo-7(3-ethyl)-2-(2-furyl)thiazolo[4,3-e]1...)
Show SMILES CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C12H9N5OS2/c1-2-16-10-8(20-12(16)19)11-14-9(7-4-3-5-18-7)15-17(11)6-13-10/h3-6H,2H2,1H3
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0.0960n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


Bioorg Med Chem 18: 2491-500 (2010)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50008408
PNG
(3-(4-Amino-3-iodo-phenyl)-N-(2-{2-[4-(2,6-dioxo-1,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCc2ccc(N)c(I)c2)cc1
Show InChI InChI=1S/C30H36IN7O5/c1-3-15-37-28-26(29(41)38(16-4-2)30(37)42)35-27(36-28)20-7-9-21(10-8-20)43-18-25(40)34-14-13-33-24(39)12-6-19-5-11-23(32)22(31)17-19/h5,7-11,17H,3-4,6,12-16,18,32H2,1-2H3,(H,33,39)(H,34,40)(H,35,36)
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0.100n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]- CHA or [3H]- PIA in bovine brain cortical membranes


Citation and Details
More data for this
Ligand-Target Pair
ADORA1


(Sheep)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.100n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
ADORA1


(HAMSTER)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.140n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM50090697
PNG
(7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol | 7-chlor...)
Show SMILES Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes


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


(GUINEA PIG)
BDBM50008415
PNG
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)
Show SMILES OCC1OC(C(O)C1O)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)
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0.150n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM50008415
PNG
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)
Show SMILES OCC1OC(C(O)C1O)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)
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0.150n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM50090697
PNG
(7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol | 7-chlor...)
Show SMILES Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1
Show InChI InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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0.150n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in bovine cortical membranes using [3H]-CHA as radioligand


J Med Chem 47: 3019-31 (2004)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50055096
PNG
(CHEMBL3317576)
Show SMILES COc1cccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24)
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.155n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.155n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50382491
PNG
(CHEMBL2024114)
Show SMILES Nc1nnc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C15H11ClN4O/c16-11-8-10(6-7-12(11)21)14-13(18-15(17)20-19-14)9-4-2-1-3-5-9/h1-8,21H,(H2,17,18,20)
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0.162n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 55: 1898-903 (2012)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50140279
PNG
(CHEMBL3754252)
Show SMILES CC(C)N(C(C)C)C(=O)Oc1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-15(2)27(16(3)4)23(28)29-19-12-8-11-18(13-19)21-14-20(25-22(24)26-21)17-9-6-5-7-10-17/h5-16H,1-4H3,(H2,24,25,26)
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0.175n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting


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


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.180n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM50062852
PNG
(8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dih...)
Show SMILES CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)
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0.180n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
In vitro binding affinity for Adenosine A1 receptor of bovine cortex


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


(BOVINE)
BDBM50062852
PNG
(8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dih...)
Show SMILES CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)
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0.183n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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0.190n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity at bovine Adenosine A1 receptor.


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


(Rattus norvegicus (rat))
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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0.190n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat forebrain membranes using N6-[3H]cyclohexyladenosine


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


(Rattus norvegicus (rat))
BDBM50044431
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4OS/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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0.190n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand


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


(Homo sapiens (human))
BDBM50315545
PNG
(8-(2-Thioxo-7(3-m-chlorophenyl)-2-(2-furyl)thiazol...)
Show SMILES Clc1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1
Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-1-4-10(7-9)22-14-12(25-16(22)24)15-19-13(11-5-2-6-23-11)20-21(15)8-18-14/h1-8H
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0.190n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay


Bioorg Med Chem 18: 2491-500 (2010)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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0.190n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortical membrane in presence of 100 uM GTP


Bioorg Med Chem 18: 2195-203 (2010)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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0.200n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM50008415
PNG
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)
Show SMILES OCC1OC(C(O)C1O)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)
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0.200n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A1 (A1)


(Oryctolagus cuniculus (Rabbit))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.210n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.211n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in presence of 0.1 mM GTP


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


(BOVINE)
BDBM50062853
PNG
(8-Cyclopentyl-1-(3-fluoro-propyl)-3,7-dihydro-puri...)
Show SMILES FCCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C13H17FN4O2/c14-6-3-7-18-12(19)9-11(17-13(18)20)16-10(15-9)8-4-1-2-5-8/h8H,1-7H2,(H,15,16)(H,17,20)
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0.216n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50055099
PNG
(CHEMBL3317579)
Show SMILES Nc1nc(CCCc2cccc(O)c2)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-8-2-1-3-9-15)22-18(23-20)11-5-7-14-6-4-10-16(26)12-14/h1-4,6,8-10,12-13,26H,5,7,11H2,(H2,21,22,23)
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0.220n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368538
PNG
(CHEMBL610439)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C46H66N8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-38(56)47-26-27-48-39(57)28-33-18-22-35(23-19-33)52-40(58)29-34-20-24-36(25-21-34)53-44-41-45(50-31-49-44)54(32-51-41)46-43(60)42(59)37(30-55)61-46/h18-25,31-32,37,42-43,46,55,59-60H,2-17,26-30H2,1H3,(H,47,56)(H,48,57)(H,52,58)(H,49,50,53)/t37-,42-,43-,46?/m1/s1
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0.220n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using [3H]- CHA or [3H]- PIA


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


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.229n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in absence of GTP


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


(GUINEA PIG)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.230n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.230n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


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


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.230n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of N6-[3H]-cyclohexyladenosine binding to adenosine A1 receptor from rat cortical membranes


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


(Homo sapiens (human))
BDBM50211095
PNG
(CHEMBL3917647)
Show SMILES Nc1nc(NCCc2cccc(O)c2)nc2sc(nc12)-c1ccco1
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0.230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method


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


(Rattus norvegicus (rat))
BDBM50008388
PNG
(3-[2-(4-Amino-3-iodo-phenyl)-ethyl]-8-cyclopentyl-...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C21H26IN5O2/c1-2-10-27-20(28)17-19(25-18(24-17)14-5-3-4-6-14)26(21(27)29)11-9-13-7-8-16(23)15(22)12-13/h7-8,12,14H,2-6,9-11,23H2,1H3,(H,24,25)
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0.230n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand


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


(Rattus norvegicus (rat))
BDBM50008415
PNG
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)
Show SMILES OCC1OC(C(O)C1O)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)
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0.230n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM50044429
PNG
(3-[2-(4-Amino-phenyl)-ethyl]-8-cyclopentyl-1-propy...)
Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C21H27N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)15-5-3-4-6-15)25(21(26)28)13-11-14-7-9-16(22)10-8-14/h7-10,15H,2-6,11-13,22H2,1H3,(H,23,24)
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0.230n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from rat forebrain membranes with N6-[3H]- cyclohexyladenosine


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


(BOVINE)
BDBM50062856
PNG
(8-Cyclopentyl-3-((E)-3-iodo-propenyl)-1-propyl-3,7...)
Show SMILES CCCn1c(=O)n(\C=C\CI)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H21IN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h5,10-11H,2-4,6-9H2,1H3,(H,18,19)/b10-5+
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0.237n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50452573
PNG
(CHEMBL3038260)
Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CCC3C4)ncnc12
Show InChI InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8-,9?,10-,11+,13+,14+,17+/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using [3H]CHA in rat brain membranes


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


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.25n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in bovine cortical membranes using [3H]-CHA as radioligand


J Med Chem 47: 3019-31 (2004)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brain


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


(GUINEA PIG)
BDBM50006730
PNG
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
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0.270n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




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


(BOVINE)
BDBM50062859
PNG
(8-Cyclopentyl-1-ethoxymethyl-3-propyl-3,7-dihydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(COCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O3/c1-3-9-19-14-12(15(21)20(16(19)22)10-23-4-2)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.286n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)

More data for this
Ligand-Target Pair
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