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PubMed code 1548682

Compile data set for download or QSAR
Found 74 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)
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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0.320n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(GUINEA PIG)
BDBM50267577
PNG
(CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12
Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(Rattus norvegicus (rat))
BDBM50267577
PNG
(CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12
Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


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


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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0.460n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes


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


(Rattus norvegicus (rat))
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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0.590n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in rat brain membranes


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


(GUINEA PIG)
BDBM50267577
PNG
(CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12
Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1
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0.700n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(GUINEA PIG)
BDBM50368574
PNG
(CHEMBL605440)
Show SMILES CCC(CC)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H23N5O4/c1-3-8(4-2)19-13-10-14(17-6-16-13)20(7-18-10)15-12(23)11(22)9(5-21)24-15/h6-9,11-12,15,21-23H,3-5H2,1-2H3,(H,16,17,19)/t9-,11-,12-,15?/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50368577
PNG
(CHEMBL604242)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12
Show InChI InChI=1S/C14H19N5O4/c20-4-8-10(21)11(22)14(23-8)19-6-18-9-12(15-3-7-1-2-7)16-5-17-13(9)19/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,17)/t8-,10-,11-,14?/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50368578
PNG
(CHEMBL605856)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)ncnc12
Show InChI InChI=1S/C17H23N5O4/c23-5-10-13(24)14(25)17(26-10)22-7-20-12-15(18-6-19-16(12)22)21-11(8-1-2-8)9-3-4-9/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t10-,13-,14-,17?/m1/s1
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0.75n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(GUINEA PIG)
BDBM50421997
PNG
(CHEMBL2093942)
Show SMILES CC[C@H](C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H21N5O4/c1-3-7(2)18-12-9-13(16-5-15-12)19(6-17-9)14-11(22)10(21)8(4-20)23-14/h5-8,10-11,14,20-22H,3-4H2,1-2H3,(H,15,16,18)/t7-,8+,10+,11+,14+/m0/s1
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0.800n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50267577
PNG
(CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12
Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in rat brain membranes


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


(GUINEA PIG)
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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1.30n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50421998
PNG
(CHEMBL2094076)
Show SMILES CC[C@@H](C)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H21N5O4/c1-3-7(2)18-12-9-13(16-5-15-12)19(6-17-9)14-11(22)10(21)8(4-20)23-14/h5-8,10-11,14,20-22H,3-4H2,1-2H3,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1
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1.30n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(GUINEA PIG)
BDBM50368128
PNG
(CHEMBL605864)
Show SMILES CC(C)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H19N5O4/c1-6(2)17-11-8-12(15-4-14-11)18(5-16-8)13-10(21)9(20)7(3-19)22-13/h4-7,9-10,13,19-21H,3H2,1-2H3,(H,14,15,17)/t7-,9-,10-,13?/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50003024
PNG
((8-(dicyclopropylmethyl)-1,3-dipropylxanthine)8-Di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C1CC1)C1CC1
Show InChI InChI=1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
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3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50368576
PNG
(CHEMBL604609)
Show SMILES CCCC(CCC)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H27N5O4/c1-3-5-10(6-4-2)21-15-12-16(19-8-18-15)22(9-20-12)17-14(25)13(24)11(7-23)26-17/h8-11,13-14,17,23-25H,3-7H2,1-2H3,(H,18,19,21)/t11-,13-,14-,17?/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005392
PNG
(8-(5-Methylene-bicyclo[2.1.1]hex-2-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2CC1C=C2
Show InChI InChI=1S/C18H24N4O2/c1-3-7-21-16-14(17(23)22(8-4-2)18(21)24)19-15(20-16)13-10-11-5-6-12(13)9-11/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,19,20)/t11?,12?,13-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005374
PNG
((1R,2R,5R)8-(Octahydro-pentalen-1-yl)-1,3-dipropyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC2CCCC12
Show InChI InChI=1S/C19H28N4O2/c1-3-10-22-17-15(18(24)23(11-4-2)19(22)25)20-16(21-17)14-9-8-12-6-5-7-13(12)14/h12-14H,3-11H2,1-2H3,(H,20,21)
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3.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005380
PNG
(8-Bicyclo[2.2.1]hept-2-yl-1,3-dipropyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@H]1CC2CCC1C2
Show InChI InChI=1S/C18H26N4O2/c1-3-7-21-16-14(17(23)22(8-4-2)18(21)24)19-15(20-16)13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,19,20)/t11?,12?,13-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005393
PNG
(8-Bicyclo[2.2.1]hept-5-en-2-yl-1,3-dipropyl-3,7-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@H]1CC2CC1C=C2
Show InChI InChI=1S/C18H24N4O2/c1-3-7-21-16-14(17(23)22(8-4-2)18(21)24)19-15(20-16)13-10-11-5-6-12(13)9-11/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,19,20)/t11?,12?,13-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50004578
PNG
(8-Bicyclo[2.2.1]hept-2-yl-1,3-dipropyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC2CCC1C2
Show InChI InChI=1S/C18H26N4O2/c1-3-7-21-16-14(17(23)22(8-4-2)18(21)24)19-15(20-16)13-10-11-5-6-12(13)9-11/h11-13H,3-10H2,1-2H3,(H,19,20)
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4.40n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(GUINEA PIG)
BDBM50005374
PNG
((1R,2R,5R)8-(Octahydro-pentalen-1-yl)-1,3-dipropyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC2CCCC12
Show InChI InChI=1S/C19H28N4O2/c1-3-10-22-17-15(18(24)23(11-4-2)19(22)25)20-16(21-17)14-9-8-12-6-5-7-13(12)14/h12-14H,3-11H2,1-2H3,(H,20,21)
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5.60n/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 guinea pig forebrain membrane Adenosine A1 receptor


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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6.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50004576
PNG
(1,3-Diethyl-8-(hexahydro-2,5-methano-pentalen-3a-y...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C18H24N4O2/c1-3-21-14-13(15(23)22(4-2)17(21)24)19-16(20-14)18-8-10-5-11(9-18)7-12(18)6-10/h10-12H,3-9H2,1-2H3,(H,19,20)
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7.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50004565
PNG
(1,3-Dibutyl-8-(hexahydro-2,5-methano-pentalen-3a-y...)
Show SMILES CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C22H32N4O2/c1-3-5-7-25-18-17(19(27)26(21(25)28)8-6-4-2)23-20(24-18)22-12-14-9-15(13-22)11-16(22)10-14/h14-16H,3-13H2,1-2H3,(H,23,24)
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10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005403
PNG
(8-(1-Methyl-cyclohexyl)-1,3-dipropyl-3,7-dihydro-p...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1(C)CCCCC1
Show InChI InChI=1S/C18H28N4O2/c1-4-11-21-14-13(15(23)22(12-5-2)17(21)24)19-16(20-14)18(3)9-7-6-8-10-18/h4-12H2,1-3H3,(H,19,20)
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11n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005379
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15-,21?
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13n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50004588
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-3-isobuty...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C19H26N4O2/c1-10(2)9-23-15-14(16(24)22(3)18(23)25)20-17(21-15)19-7-11-4-12(8-19)6-13(19)5-11/h10-13H,4-9H2,1-3H3,(H,20,21)
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15n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(GUINEA PIG)
BDBM50368579
PNG
(CHEMBL605066)
Show SMILES CCC(C)(C)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H23N5O4/c1-4-15(2,3)19-12-9-13(17-6-16-12)20(7-18-9)14-11(23)10(22)8(5-21)24-14/h6-8,10-11,14,21-23H,4-5H2,1-3H3,(H,16,17,19)/t8-,10-,11-,14?/m1/s1
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16n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50005366
PNG
(1,3-Dipropyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccs1
Show InChI InChI=1S/C15H18N4O2S/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
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16n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using (R)-N6-(2-[3H]-phenyl-1-methylethyladenosine in rat cortical membranes


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


(GUINEA PIG)
BDBM50368580
PNG
(CHEMBL605273)
Show SMILES CC(C)(C)CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H23N5O4/c1-15(2,3)5-16-12-9-13(18-6-17-12)20(7-19-9)14-11(23)10(22)8(4-21)24-14/h6-8,10-11,14,21-23H,4-5H2,1-3H3,(H,16,17,18)/t8-,10-,11-,14?/m1/s1
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17n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005373
PNG
(8-(1-Ethyl-propyl)-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(CC)CC
Show InChI InChI=1S/C16H26N4O2/c1-5-9-19-14-12(15(21)20(10-6-2)16(19)22)17-13(18-14)11(7-3)8-4/h11H,5-10H2,1-4H3,(H,17,18)
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19n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50368575
PNG
(CHEMBL605488)
Show SMILES CC(C)(C)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H21N5O4/c1-14(2,3)18-11-8-12(16-5-15-11)19(6-17-8)13-10(22)9(21)7(4-20)23-13/h5-7,9-10,13,20-22H,4H2,1-3H3,(H,15,16,18)/t7-,9-,10-,13?/m1/s1
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20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50004593
PNG
(1,3-Dipropyl-8-(2,2,5,5-tetramethyl-cyclopentyl)-3...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C(C)(C)CCC1(C)C
Show InChI InChI=1S/C20H32N4O2/c1-7-11-23-16-13(17(25)24(12-8-2)18(23)26)21-15(22-16)14-19(3,4)9-10-20(14,5)6/h14H,7-12H2,1-6H3,(H,21,22)
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22n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005406
PNG
(8-(1,1-Dimethyl-propyl)-1,3-dipropyl-3,7-dihydro-p...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)CC
Show InChI InChI=1S/C16H26N4O2/c1-6-9-19-12-11(13(21)20(10-7-2)15(19)22)17-14(18-12)16(4,5)8-3/h6-10H2,1-5H3,(H,17,18)
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23n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005388
PNG
(8-sec-Butyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)CC
Show InChI InChI=1S/C15H24N4O2/c1-5-8-18-13-11(16-12(17-13)10(4)7-3)14(20)19(9-6-2)15(18)21/h10H,5-9H2,1-4H3,(H,16,17)
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25n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005370
PNG
(8-(1,1-Dimethyl-butyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)CCC
Show InChI InChI=1S/C17H28N4O2/c1-6-9-17(4,5)15-18-12-13(19-15)20(10-7-2)16(23)21(11-8-3)14(12)22/h6-11H2,1-5H3,(H,18,19)
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25n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005378
PNG
(8-tert-Butyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(C)C
Show InChI InChI=1S/C15H24N4O2/c1-6-8-18-11-10(16-13(17-11)15(3,4)5)12(20)19(9-7-2)14(18)21/h6-9H2,1-5H3,(H,16,17)
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31n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(Rattus norvegicus (rat))
BDBM50005384
PNG
(8-Furan-2-yl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccco1
Show InChI InChI=1S/C15H18N4O3/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
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37n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using (R)-N6-(2-[3H]-phenyl-1-methylethyladenosine in rat cortical membranes


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


(GUINEA PIG)
BDBM50004595
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dimet...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C16H20N4O2/c1-19-12-11(13(21)20(2)15(19)22)17-14(18-12)16-6-8-3-9(7-16)5-10(16)4-8/h8-10H,3-7H2,1-2H3,(H,17,18)
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41n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005387
PNG
(8-(2,2-Dimethyl-propyl)-1,3-dipropyl-3,7-dihydro-p...)
Show SMILES CCCn1c2nc(CC(C)(C)C)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C16H26N4O2/c1-6-8-19-13-12(14(21)20(9-7-2)15(19)22)17-11(18-13)10-16(3,4)5/h6-10H2,1-5H3,(H,17,18)
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49n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005394
PNG
(8-Isopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)C
Show InChI InChI=1S/C14H22N4O2/c1-5-7-17-12-10(15-11(16-12)9(3)4)13(19)18(8-6-2)14(17)20/h9H,5-8H2,1-4H3,(H,15,16)
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49n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50368572
PNG
(CHEMBL603777)
Show SMILES CC1(CCCCC1)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25N5O4/c1-17(5-3-2-4-6-17)21-14-11-15(19-8-18-14)22(9-20-11)16-13(25)12(24)10(7-23)26-16/h8-10,12-13,16,23-25H,2-7H2,1H3,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
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70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50368581
PNG
(CHEMBL606110)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)ncnc12
Show InChI InChI=1S/C20H27N5O4/c26-7-13-15(27)16(28)19(29-13)25-9-23-14-17(21-8-22-18(14)25)24-20-4-10-1-11(5-20)3-12(2-10)6-20/h8-13,15-16,19,26-28H,1-7H2,(H,21,22,24)/t10-,11+,12-,13-,15-,16-,19?,20?/m1/s1
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73n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005400
PNG
(1,3-Dipropyl-8-(1-propyl-butyl)-3,7-dihydro-purine...)
Show SMILES CCCC(CCC)c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1
Show InChI InChI=1S/C18H30N4O2/c1-5-9-13(10-6-2)15-19-14-16(20-15)21(11-7-3)18(24)22(12-8-4)17(14)23/h13H,5-12H2,1-4H3,(H,19,20)
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78n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005375
PNG
(8-Bicyclo[2.2.1]hept-2-ylmethyl-1,3-dipropyl-3,7-d...)
Show SMILES CCCn1c2nc(C[C@H]3CC4CCC3C4)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C19H28N4O2/c1-3-7-22-17-16(18(24)23(8-4-2)19(22)25)20-15(21-17)11-14-10-12-5-6-13(14)9-12/h12-14H,3-11H2,1-2H3,(H,20,21)/t12?,13?,14-/m1/s1
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80n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(Rattus norvegicus (rat))
BDBM50005379
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15-,21?
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82n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes


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


(GUINEA PIG)
BDBM50005381
PNG
(8-Cyclopropylmethyl-1,3-dipropyl-3,7-dihydro-purin...)
Show SMILES CCCn1c2nc(CC3CC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C15H22N4O2/c1-3-7-18-13-12(14(20)19(8-4-2)15(18)21)16-11(17-13)9-10-5-6-10/h10H,3-9H2,1-2H3,(H,16,17)
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120n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005368
PNG
(8-(1-Methyl-1H-pyrrol-2-yl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccn1C
Show InChI InChI=1S/C16H21N5O2/c1-4-8-20-14-12(15(22)21(9-5-2)16(20)23)17-13(18-14)11-7-6-10-19(11)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,18)
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140n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005395
PNG
(8-(1-Ethyl-1-hydroxy-propyl)-1,3-dipropyl-3,7-dihy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(O)(CC)CC
Show InChI InChI=1S/C16H26N4O3/c1-5-9-19-12-11(13(21)20(10-6-2)15(19)22)17-14(18-12)16(23,7-3)8-4/h23H,5-10H2,1-4H3,(H,17,18)
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170n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005366
PNG
(1,3-Dipropyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccs1
Show InChI InChI=1S/C15H18N4O2S/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
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210n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005376
PNG
(8-Indan-2-yl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H24N4O2/c1-3-9-23-18-16(19(25)24(10-4-2)20(23)26)21-17(22-18)15-11-13-7-5-6-8-14(13)12-15/h5-8,15H,3-4,9-12H2,1-2H3,(H,21,22)
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220n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005386
PNG
(8-(1-Hydroxy-1-methyl-propyl)-1,3-dipropyl-3,7-dih...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)(O)CC
Show InChI InChI=1S/C15H24N4O3/c1-5-8-18-11-10(12(20)19(9-6-2)14(18)21)16-13(17-11)15(4,22)7-3/h22H,5-9H2,1-4H3,(H,16,17)
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240n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50004580
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-3-propyl-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C17H22N4O2/c1-2-3-21-13-12(14(22)20-16(21)23)18-15(19-13)17-7-9-4-10(8-17)6-11(17)5-9/h9-11H,2-8H2,1H3,(H,18,19)(H,20,22,23)
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370n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(GUINEA PIG)
BDBM50005372
PNG
(8-(2-Methyl-thiazol-4-yl)-1,3-dipropyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1csc(C)n1
Show InChI InChI=1S/C15H19N5O2S/c1-4-6-19-13-11(14(21)20(7-5-2)15(19)22)17-12(18-13)10-8-23-9(3)16-10/h8H,4-7H2,1-3H3,(H,17,18)
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410n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(Rattus norvegicus (rat))
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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450n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes


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


(GUINEA PIG)
BDBM50005384
PNG
(8-Furan-2-yl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccco1
Show InChI InChI=1S/C15H18N4O3/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
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560n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005365
PNG
(8-Adamantan-1-ylmethyl-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc(CC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H32N4O2/c1-3-5-25-19-18(20(27)26(6-4-2)21(25)28)23-17(24-19)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,3-13H2,1-2H3,(H,23,24)/t14-,15+,16-,22?
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880n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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1.00E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig membranes


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


(GUINEA PIG)
BDBM82032
PNG
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)
Show SMILES CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
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1.40E+3n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(GUINEA PIG)
BDBM50005377
PNG
(8-(9H-Fluoren-9-yl)-1,3-dipropyl-3,7-dihydro-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H24N4O2/c1-3-13-27-22-20(23(29)28(14-4-2)24(27)30)25-21(26-22)19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,3-4,13-14H2,1-2H3,(H,25,26)
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2.90E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005371
PNG
(1,3-Dipropyl-8-[1,2,3]thiadiazol-5-yl-3,7-dihydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnns1
Show InChI InChI=1S/C13H16N6O2S/c1-3-5-18-11-9(12(20)19(6-4-2)13(18)21)15-10(16-11)8-7-14-17-22-8/h7H,3-6H2,1-2H3,(H,15,16)
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4.40E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig forebrain membranes


Citation and Details
More data for this
Ligand-Target Pair
Adenylate cyclase


(Homo sapiens)
BDBM50005379
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15-,21?
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>5.00E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
KB for inhibition of adenylate cyclase stimulation in human platelet membranes


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


(GUINEA PIG)
BDBM50005382
PNG
(1,3-Dipropyl-8-[1,2,5]thiadiazol-3-yl-3,7-dihydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnsn1
Show InChI InChI=1S/C13H16N6O2S/c1-3-5-18-11-9(12(20)19(6-4-2)13(18)21)15-10(16-11)8-7-14-22-17-8/h7H,3-6H2,1-2H3,(H,15,16)
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5.40E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(Rattus norvegicus (rat))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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8.47E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes


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


(GUINEA PIG)
BDBM50005390
PNG
(1,3-Dipropyl-8-(1H-tetrazol-5-yl)-3,7-dihydro-puri...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1nnn[nH]1
Show InChI InChI=1S/C12H16N8O2/c1-3-5-19-10-7(11(21)20(6-4-2)12(19)22)13-8(14-10)9-15-17-18-16-9/h3-6H2,1-2H3,(H,13,14)(H,15,16,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005399
PNG
(CHEMBL173102 | Potassium; 5-(2,6-dioxo-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(co1)S([O-])(=O)=O
Show InChI InChI=1S/C15H18N4O6S/c1-3-5-18-13-11(14(20)19(6-4-2)15(18)21)16-12(17-13)10-7-9(8-25-10)26(22,23)24/h7-8H,3-6H2,1-2H3,(H,16,17)(H,22,23,24)/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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1.30E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig membranes


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


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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2.30E+4n/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 guinea pig forebrain membrane Adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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2.91E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes


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


(GUINEA PIG)
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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1.00E+5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005405
PNG
(8-Benzo[b]thiophen-2-yl-1,3-dipropyl-3,7-dihydro-p...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2s1
Show InChI InChI=1S/C19H20N4O2S/c1-3-9-22-17-15(18(24)23(10-4-2)19(22)25)20-16(21-17)14-11-12-7-5-6-8-13(12)26-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005369
PNG
(8-Benzofuran-2-yl-1,3-dipropyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2o1
Show InChI InChI=1S/C19H20N4O3/c1-3-9-22-17-15(18(24)23(10-4-2)19(22)25)20-16(21-17)14-11-12-7-5-6-8-13(12)26-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


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


(GUINEA PIG)
BDBM50005396
PNG
(8-(1-Methyl-1H-indol-2-yl)-1,3-dipropyl-3,7-dihydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc2ccccc2n1C
Show InChI InChI=1S/C20H23N5O2/c1-4-10-24-18-16(19(26)25(11-5-2)20(24)27)21-17(22-18)15-12-13-8-6-7-9-14(13)23(15)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%