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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor 80' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369952
PNG
(CHEMBL609487)
Show SMILES CC(=O)NCCCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C20H31N7O5/c1-12(28)22-8-6-4-2-3-5-7-9-23-19(31)16-14(29)15(30)20(32-16)27-11-26-13-17(21)24-10-25-18(13)27/h10-11,14-16,20,29-30H,2-9H2,1H3,(H,22,28)(H,23,31)(H2,21,24,25)/t14-,15+,16-,20?/m0/s1
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10n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50409304
PNG
(CHEMBL2113492)
Show SMILES CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O4/c1-2-3-4-5-17-14(24)11-9(22)10(23)15(25-11)21-7-20-8-12(16)18-6-19-13(8)21/h6-7,9-11,15,22-23H,2-5H2,1H3,(H,17,24)(H2,16,18,19)/t9-,10+,11-,15+/m0/s1
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12n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50409301
PNG
(CHEMBL2092859)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H24N6O4/c1-8-2-4-9(5-3-8)22-16(26)13-11(24)12(25)17(27-13)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,17,24-25H,2-5H2,1H3,(H,22,26)(H2,18,19,20)/t8-,9-,11-,12+,13-,17+/m0/s1
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12.9n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369155
PNG
(CHEMBL609186)
Show SMILES CCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H20N6O4/c1-2-3-4-16-13(23)10-8(21)9(22)14(24-10)20-6-19-7-11(15)17-5-18-12(7)20/h5-6,8-10,14,21-22H,2-4H2,1H3,(H,16,23)(H2,15,17,18)/t8-,9+,10-,14?/m0/s1
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17n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50409300
PNG
(CHEMBL2113489)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C16H22N6O4/c17-13-9-14(19-6-18-13)22(7-20-9)16-11(24)10(23)12(26-16)15(25)21-8-4-2-1-3-5-8/h6-8,10-12,16,23-24H,1-5H2,(H,21,25)(H2,17,18,19)/t10-,11+,12-,16+/m0/s1
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18n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369942
PNG
(CHEMBL607719)
Show SMILES CCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H24N6O4/c1-2-3-4-5-6-18-15(25)12-10(23)11(24)16(26-12)22-8-21-9-13(17)19-7-20-14(9)22/h7-8,10-12,16,23-24H,2-6H2,1H3,(H,18,25)(H2,17,19,20)/t10-,11+,12-,16?/m0/s1
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19n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369938
PNG
(CHEMBL1791423)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C(O)C#C)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H13N5O4/c1-2-5(18)9-7(19)8(20)12(21-9)17-4-16-6-10(13)14-3-15-11(6)17/h1,3-5,7-9,12,18-20H,(H2,13,14,15)/t5?,7-,8+,9+,12+/m0/s1
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20n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369937
PNG
(CHEMBL608293)
Show SMILES CC(C)CONC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H20N6O5/c1-6(2)3-24-19-13(23)10-8(21)9(22)14(25-10)20-5-18-7-11(15)16-4-17-12(7)20/h4-6,8-10,14,21-22H,3H2,1-2H3,(H,19,23)(H2,15,16,17)/t8-,9+,10-,14?/m0/s1
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20n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369943
PNG
(CHEMBL608888)
Show SMILES CCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H26N6O4/c1-2-3-4-5-6-7-19-16(26)13-11(24)12(25)17(27-13)23-9-22-10-14(18)20-8-21-15(10)23/h8-9,11-13,17,24-25H,2-7H2,1H3,(H,19,26)(H2,18,20,21)/t11-,12+,13-,17?/m0/s1
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20n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369947
PNG
(CHEMBL608296)
Show SMILES CCCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H28N6O4/c1-2-3-4-5-6-7-8-20-17(27)14-12(25)13(26)18(28-14)24-10-23-11-15(19)21-9-22-16(11)24/h9-10,12-14,18,25-26H,2-8H2,1H3,(H,20,27)(H2,19,21,22)/t12-,13+,14-,18?/m0/s1
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21n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369936
PNG
(CHEMBL609773)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C17H24N6O4/c18-14-10-15(20-7-19-14)23(8-21-10)17-12(25)11(24)13(27-17)16(26)22-9-5-3-1-2-4-6-9/h7-9,11-13,17,24-25H,1-6H2,(H,22,26)(H2,18,19,20)/t11-,12+,13-,17?/m0/s1
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22n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369941
PNG
(CHEMBL608893)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C18H26N6O4/c19-15-11-16(21-8-20-15)24(9-22-11)18-13(26)12(25)14(28-18)17(27)23-10-6-4-2-1-3-5-7-10/h8-10,12-14,18,25-26H,1-7H2,(H,23,27)(H2,19,20,21)/t12-,13+,14-,18?/m0/s1
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23n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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27n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369933
PNG
(CHEMBL612154)
Show SMILES CCCCCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C20H32N6O4/c1-2-3-4-5-6-7-8-9-10-22-19(29)16-14(27)15(28)20(30-16)26-12-25-13-17(21)23-11-24-18(13)26/h11-12,14-16,20,27-28H,2-10H2,1H3,(H,22,29)(H2,21,23,24)/t14-,15+,16-,20?/m0/s1
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27n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369930
PNG
(CHEMBL609776)
Show SMILES NCCCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H29N7O4/c19-7-5-3-1-2-4-6-8-21-17(28)14-12(26)13(27)18(29-14)25-10-24-11-15(20)22-9-23-16(11)25/h9-10,12-14,18,26-27H,1-8,19H2,(H,21,28)(H2,20,22,23)/t12-,13+,14-,18?/m0/s1
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29n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50389796
PNG
(CHEMBL1235128)
Show SMILES CCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H18N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1
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31n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369950
PNG
(CHEMBL609769)
Show SMILES CCCCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H30N6O4/c1-2-3-4-5-6-7-8-9-21-18(28)15-13(26)14(27)19(29-15)25-11-24-12-16(20)22-10-23-17(12)25/h10-11,13-15,19,26-27H,2-9H2,1H3,(H,21,28)(H2,20,22,23)/t13-,14+,15-,19?/m0/s1
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31n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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37n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369932
PNG
(CHEMBL608595)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NO
Show InChI InChI=1S/C10H12N6O5/c11-7-3-8(13-1-12-7)16(2-14-3)10-5(18)4(17)6(21-10)9(19)15-20/h1-2,4-6,10,17-18,20H,(H,15,19)(H2,11,12,13)/t4-,5+,6-,10?/m0/s1
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41n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM85777
PNG
(B-NECA)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H18N6O4/c18-14-10-15(21-7-20-14)23(8-22-10)17-12(25)11(24)13(27-17)16(26)19-6-9-4-2-1-3-5-9/h1-5,7-8,11-13,17,24-25H,6H2,(H,19,26)(H2,18,20,21)/t11-,12+,13-,17+/m0/s1
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42n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369945
PNG
(CHEMBL609775)
Show SMILES CC(=O)NCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H19N7O5/c1-6(22)16-2-3-17-13(25)10-8(23)9(24)14(26-10)21-5-20-7-11(15)18-4-19-12(7)21/h4-5,8-10,14,23-24H,2-3H2,1H3,(H,16,22)(H,17,25)(H2,15,18,19)/t8-,9+,10-,14?/m0/s1
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46n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50389799
PNG
(CHEMBL2070508)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCCC1
Show InChI InChI=1S/C15H20N6O4/c16-12-8-13(18-5-17-12)21(6-19-8)15-10(23)9(22)11(25-15)14(24)20-7-3-1-2-4-7/h5-7,9-11,15,22-23H,1-4H2,(H,20,24)(H2,16,17,18)/t9-,10+,11-,15+/m0/s1
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49n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50407975
PNG
(CHEMBL519809)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
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51n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50409303
PNG
(CHEMBL2092773)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H24N6O4/c1-8-2-4-9(5-3-8)22-16(26)13-11(24)12(25)17(27-13)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,17,24-25H,2-5H2,1H3,(H,22,26)(H2,18,19,20)/t8-,9+,11-,12+,13-,17+/m0/s1
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55.6n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50409302
PNG
(CHEMBL2113434)
Show SMILES CONC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H14N6O5/c1-21-16-10(20)7-5(18)6(19)11(22-7)17-3-15-4-8(12)13-2-14-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,16,20)(H2,12,13,14)/t5-,6+,7-,11+/m0/s1
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58n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50367376
PNG
(CHEMBL605866)
Show SMILES NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10?/m0/s1
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64n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369935
PNG
(CHEMBL608587)
Show SMILES CCONC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O5/c1-2-22-17-11(21)8-6(19)7(20)12(23-8)18-4-16-5-9(13)14-3-15-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,17,21)(H2,13,14,15)/t6-,7+,8-,12?/m0/s1
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67n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369949
PNG
(CHEMBL608591)
Show SMILES CC1CCCCC1NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H24N6O4/c1-8-4-2-3-5-9(8)22-16(26)13-11(24)12(25)17(27-13)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,17,24-25H,2-5H2,1H3,(H,22,26)(H2,18,19,20)/t8?,9?,11-,12+,13-,17?/m0/s1
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69.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50389798
PNG
(CHEMBL2070507)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CCC1
Show InChI InChI=1S/C14H18N6O4/c15-11-7-12(17-4-16-11)20(5-18-7)14-9(22)8(21)10(24-14)13(23)19-6-2-1-3-6/h4-6,8-10,14,21-22H,1-3H2,(H,19,23)(H2,15,16,17)/t8-,9+,10-,14+/m0/s1
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88n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50389797
PNG
(CHEMBL261482)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Show InChI InChI=1S/C13H16N6O4/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(23-13)12(22)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1
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96n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369944
PNG
(CHEMBL609768)
Show SMILES CCCCCCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C21H34N6O4/c1-2-3-4-5-6-7-8-9-10-11-23-20(30)17-15(28)16(29)21(31-17)27-13-26-14-18(22)24-12-25-19(14)27/h12-13,15-17,21,28-29H,2-11H2,1H3,(H,23,30)(H2,22,24,25)/t15-,16+,17-,21?/m0/s1
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123n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369928
PNG
(CHEMBL608003)
Show SMILES COc1ccc(CNC(=O)[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC
Show InChI InChI=1S/C19H22N6O6/c1-29-10-4-3-9(5-11(10)30-2)6-21-18(28)15-13(26)14(27)19(31-15)25-8-24-12-16(20)22-7-23-17(12)25/h3-5,7-8,13-15,19,26-27H,6H2,1-2H3,(H,21,28)(H2,20,22,23)/t13-,14+,15-,19?/m0/s1
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140n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369946
PNG
(CHEMBL609485)
Show SMILES CCCCCCCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H36N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-24-21(31)18-16(29)17(30)22(32-18)28-14-27-15-19(23)25-13-26-20(15)28/h13-14,16-18,22,29-30H,2-12H2,1H3,(H,24,31)(H2,23,25,26)/t16-,17+,18-,22?/m0/s1
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163n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50106539
PNG
((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1
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167n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369929
PNG
(CHEMBL608895)
Show SMILES CCC(C)NC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H20N6O4/c1-3-6(2)19-13(23)10-8(21)9(22)14(24-10)20-5-18-7-11(15)16-4-17-12(7)20/h4-6,8-10,14,21-22H,3H2,1-2H3,(H,19,23)(H2,15,16,17)/t6?,8-,9+,10-,14?/m0/s1
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198n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369948
PNG
(CHEMBL608596)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC2CCC1C2
Show InChI InChI=1S/C17H22N6O4/c18-14-10-15(20-5-19-14)23(6-21-10)17-12(25)11(24)13(27-17)16(26)22-9-4-7-1-2-8(9)3-7/h5-9,11-13,17,24-25H,1-4H2,(H,22,26)(H2,18,19,20)/t7?,8?,9?,11-,12+,13-,17?/m0/s1
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640n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369951
PNG
(CHEMBL609179)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC12CC3CC(CC3C1)C2
Show InChI InChI=1S/C19H24N6O4/c20-15-11-16(22-6-21-15)25(7-23-11)18-13(27)12(26)14(29-18)17(28)24-19-3-8-1-9(4-19)10(2-8)5-19/h6-10,12-14,18,26-27H,1-5H2,(H,24,28)(H2,20,21,22)/t8?,9?,10?,12-,13+,14-,18?,19?/m0/s1
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833n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369940
PNG
(CHEMBL608000)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H26N6O4/c21-16-12-17(23-7-22-16)26(8-24-12)19-14(28)13(27)15(30-19)18(29)25-20-4-9-1-10(5-20)3-11(2-9)6-20/h7-11,13-15,19,27-28H,1-6H2,(H,25,29)(H2,21,22,23)/t9?,10?,11?,13-,14+,15-,19?,20?/m0/s1
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1.04E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50369939
PNG
(CHEMBL609774)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C20H26N6O4/c21-17-13-18(23-6-22-17)26(7-24-13)20-15(28)14(27)16(30-20)19(29)25-12-10-2-8-1-9(4-10)5-11(12)3-8/h6-12,14-16,20,27-28H,1-5H2,(H,25,29)(H2,21,22,23)/t8?,9?,10?,11?,12?,14-,15+,16-,20?/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair
G protein-coupled receptor 80


(Rattus norvegicus)
BDBM50409305
PNG
(CHEMBL2113436)
Show SMILES CC(C)(C)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H20N6O4/c1-14(2,3)19-12(23)9-7(21)8(22)13(24-9)20-5-18-6-10(15)16-4-17-11(6)20/h4-5,7-9,13,21-22H,1-3H3,(H,19,23)(H2,15,16,17)/t7-,8+,9-,13+/m0/s1
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6.85E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes


J Med Chem 44: 208-14 (2001)

More data for this
Ligand-Target Pair