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Compile Data Set for Download or QSAR

Found 54 hits of ki data for polymerid = 49000141   
Target
(Institution)
LigandTarget
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
ADORA1


(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




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(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




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(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




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(PIG)
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(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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0.530n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
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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1.48n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(PIG)
BDBM50224770
PNG
((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(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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4n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(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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4.5n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(PIG)
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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5.30n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(PIG)
BDBM50224759
PNG
((2R,3R,4S,5R)-2-(2-chloro-6-((R)-tetrahydrofuran-3...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C14H18ClN5O5/c15-14-18-11(17-6-1-2-24-4-6)8-12(19-14)20(5-16-8)13-10(23)9(22)7(3-21)25-13/h5-7,9-10,13,21-23H,1-4H2,(H,17,18,19)/t6-,7-,9-,10-,13-/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224766
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-tetrahyd...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224775
PNG
((2R,3R,4R,5R)-2-(6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c1-16(24)12(23)10(6-22)25-15(16)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12-,15-,16-/m1/s1
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10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224769
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-methylt...)
Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C18H25ClN6O4S/c1-18(27)12(26)10(7-28-17(30)20-2)29-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26-27H,3-7H2,1-2H3,(H,20,30)(H,22,23,24)/t10-,12-,15-,18-/m1/s1
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13n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(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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16.8n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(PIG)
BDBM50224764
PNG
(2-chloro-2'-C-methyl-tecadenoson | CHEMBL400782)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O5/c1-15(24)10(23)8(4-22)26-13(15)21-6-17-9-11(18-7-2-3-25-5-7)19-14(16)20-12(9)21/h6-8,10,13,22-24H,2-5H2,1H3,(H,18,19,20)/t7-,8-,10-,13-,15-/m1/s1
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67n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224760
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...)
Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1
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72n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224778
PNG
(2'-Me-tecadenoson | CHEMBL400190)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C15H21N5O5/c1-15(23)11(22)9(4-21)25-14(15)20-7-18-10-12(16-6-17-13(10)20)19-8-2-3-24-5-8/h6-9,11,14,21-23H,2-5H2,1H3,(H,16,17,19)/t8-,9-,11-,14-,15-/m1/s1
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150n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
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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161n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(PIG)
BDBM50224762
PNG
(CHEMBL254483 | N6-(R)-3-tetrahydrofuranyl-9H-(2-C-...)
Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C17H24N6O5S/c1-17(25)12(24)10(6-27-16(29)18-2)28-15(17)23-8-21-11-13(19-7-20-14(11)23)22-9-3-4-26-5-9/h7-10,12,15,24-25H,3-6H2,1-2H3,(H,18,29)(H,19,20,22)/t9-,10-,12-,15-,17-/m1/s1
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173n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224763
PNG
(2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...)
Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C17H23ClN6O5S/c1-17(26)11(25)9(6-28-16(30)19-2)29-14(17)24-7-20-10-12(21-8-3-4-27-5-8)22-15(18)23-13(10)24/h7-9,11,14,25-26H,3-6H2,1-2H3,(H,19,30)(H,21,22,23)/t8-,9-,11-,14-,17-/m1/s1
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276n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224776
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-propylt...)
Show SMILES CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C20H29ClN6O4S/c1-3-8-22-19(32)30-9-12-14(28)20(2,29)17(31-12)27-10-23-13-15(24-11-6-4-5-7-11)25-18(21)26-16(13)27/h10-12,14,17,28-29H,3-9H2,1-2H3,(H,22,32)(H,24,25,26)/t12-,14-,17-,20-/m1/s1
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337n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224779
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-cyclope...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C22H31ClN6O5/c1-22(32)16(30)14(10-33-21(31)26-13-8-4-5-9-13)34-19(22)29-11-24-15-17(25-12-6-2-3-7-12)27-20(23)28-18(15)29/h11-14,16,19,30,32H,2-10H2,1H3,(H,26,31)(H,25,27,28)/t14-,16-,19-,22-/m1/s1
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370n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224783
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-benzylt...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C24H29ClN6O4S/c1-24(33)18(32)16(12-34-23(36)26-11-14-7-3-2-4-8-14)35-21(24)31-13-27-17-19(28-15-9-5-6-10-15)29-22(25)30-20(17)31/h2-4,7-8,13,15-16,18,21,32-33H,5-6,9-12H2,1H3,(H,26,36)(H,28,29,30)/t16-,18-,21-,24-/m1/s1
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380n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224784
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-cyclope...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C22H31ClN6O4S/c1-22(31)16(30)14(10-32-21(34)26-13-8-4-5-9-13)33-19(22)29-11-24-15-17(25-12-6-2-3-7-12)27-20(23)28-18(15)29/h11-14,16,19,30-31H,2-10H2,1H3,(H,26,34)(H,25,27,28)/t14-,16-,19-,22-/m1/s1
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380n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(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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386n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(PIG)
BDBM50224768
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-benzylc...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C24H29ClN6O5/c1-24(34)18(32)16(12-35-23(33)26-11-14-7-3-2-4-8-14)36-21(24)31-13-27-17-19(28-15-9-5-6-10-15)29-22(25)30-20(17)31/h2-4,7-8,13,15-16,18,21,32,34H,5-6,9-12H2,1H3,(H,26,33)(H,28,29,30)/t16-,18-,21-,24-/m1/s1
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410n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224765
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-propylc...)
Show SMILES CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C20H29ClN6O5/c1-3-8-22-19(29)31-9-12-14(28)20(2,30)17(32-12)27-10-23-13-15(24-11-6-4-5-7-11)25-18(21)26-16(13)27/h10-12,14,17,28,30H,3-9H2,1-2H3,(H,22,29)(H,24,25,26)/t12-,14-,17-,20-/m1/s1
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513n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224773
PNG
(2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...)
Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C17H23ClN6O6/c1-17(27)11(25)9(6-29-16(26)19-2)30-14(17)24-7-20-10-12(21-8-3-4-28-5-8)22-15(18)23-13(10)24/h7-9,11,14,25,27H,3-6H2,1-2H3,(H,19,26)(H,21,22,23)/t8-,9-,11-,14-,17-/m1/s1
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534n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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650n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane


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


(PIG)
BDBM50224788
PNG
(CHEMBL254482 | N6-(R)-3-tetrahydrofuranyl-9H-(2-C-...)
Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C17H24N6O6/c1-17(26)12(24)10(6-28-16(25)18-2)29-15(17)23-8-21-11-13(19-7-20-14(11)23)22-9-3-4-27-5-9/h7-10,12,15,24,26H,3-6H2,1-2H3,(H,18,25)(H,19,20,22)/t9-,10-,12-,15-,17-/m1/s1
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760n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(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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810n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane


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


(PIG)
BDBM50224785
PNG
(CHEMBL399306 | N6-cyclopentyl-9H-(2-C-methyl-5-N-b...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C24H30N6O4S/c1-24(32)19(31)17(12-33-23(35)25-11-15-7-3-2-4-8-15)34-22(24)30-14-28-18-20(26-13-27-21(18)30)29-16-9-5-6-10-16/h2-4,7-8,13-14,16-17,19,22,31-32H,5-6,9-12H2,1H3,(H,25,35)(H,26,27,29)/t17-,19-,22-,24-/m1/s1
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1.03E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224772
PNG
(2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...)
Show SMILES CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C19H27ClN6O5S/c1-3-5-21-18(32)30-8-11-13(27)19(2,28)16(31-11)26-9-22-12-14(23-10-4-6-29-7-10)24-17(20)25-15(12)26/h9-11,13,16,27-28H,3-8H2,1-2H3,(H,21,32)(H,23,24,25)/t10-,11-,13-,16-,19-/m1/s1
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1.45E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224777
PNG
(2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...)
Show SMILES CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C19H27ClN6O6/c1-3-5-21-18(28)31-8-11-13(27)19(2,29)16(32-11)26-9-22-12-14(23-10-4-6-30-7-10)24-17(20)25-15(12)26/h9-11,13,16,27,29H,3-8H2,1-2H3,(H,21,28)(H,23,24,25)/t10-,11-,13-,16-,19-/m1/s1
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1.85E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224786
PNG
(2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C21H29ClN6O6/c1-21(31)15(29)13(9-33-20(30)25-11-4-2-3-5-11)34-18(21)28-10-23-14-16(24-12-6-7-32-8-12)26-19(22)27-17(14)28/h10-13,15,18,29,31H,2-9H2,1H3,(H,25,30)(H,24,26,27)/t12-,13-,15-,18-,21-/m1/s1
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1.85E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224781
PNG
(CHEMBL254063 | N6-cyclopentyl-9H-(2-C-methyl-5-N-b...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C24H30N6O5/c1-24(33)19(31)17(12-34-23(32)25-11-15-7-3-2-4-8-15)35-22(24)30-14-28-18-20(26-13-27-21(18)30)29-16-9-5-6-10-16/h2-4,7-8,13-14,16-17,19,22,31,33H,5-6,9-12H2,1H3,(H,25,32)(H,26,27,29)/t17-,19-,22-,24-/m1/s1
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2.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224771
PNG
(2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C21H29ClN6O5S/c1-21(30)15(29)13(9-32-20(34)25-11-4-2-3-5-11)33-18(21)28-10-23-14-16(24-12-6-7-31-8-12)26-19(22)27-17(14)28/h10-13,15,18,29-30H,2-9H2,1H3,(H,25,34)(H,24,26,27)/t12-,13-,15-,18-,21-/m1/s1
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2.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224761
PNG
(2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C23H27ClN6O5S/c1-23(32)17(31)15(11-34-22(36)25-9-13-5-3-2-4-6-13)35-20(23)30-12-26-16-18(27-14-7-8-33-10-14)28-21(24)29-19(16)30/h2-6,12,14-15,17,20,31-32H,7-11H2,1H3,(H,25,36)(H,27,28,29)/t14-,15-,17-,20-,23-/m1/s1
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2.87E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224774
PNG
(CHEMBL254691 | N6-(R)-3-tetrahydrofuranyl-9H-(2-C-...)
Show SMILES CCCNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C19H28N6O5S/c1-3-5-20-18(31)29-8-12-14(26)19(2,27)17(30-12)25-10-23-13-15(21-9-22-16(13)25)24-11-4-6-28-7-11/h9-12,14,17,26-27H,3-8H2,1-2H3,(H,20,31)(H,21,22,24)/t11-,12-,14-,17-,19-/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224787
PNG
(CHEMBL400331 | N6-(R)-3-tetrahydrofuranyl-9H-(2-C-...)
Show SMILES CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C19H28N6O6/c1-3-5-20-18(27)30-8-12-14(26)19(2,28)17(31-12)25-10-23-13-15(21-9-22-16(13)25)24-11-4-6-29-7-11/h9-12,14,17,26,28H,3-8H2,1-2H3,(H,20,27)(H,21,22,24)/t11-,12-,14-,17-,19-/m1/s1
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3.88E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224782
PNG
(2-chloro-N6-(R)-3-tetrahydrofuranyl-9H-(2-C-methyl...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
Show InChI InChI=1S/C23H27ClN6O6/c1-23(33)17(31)15(11-35-22(32)25-9-13-5-3-2-4-6-13)36-20(23)30-12-26-16-18(27-14-7-8-34-10-14)28-21(24)29-19(16)30/h2-6,12,14-15,17,20,31,33H,7-11H2,1H3,(H,25,32)(H,27,28,29)/t14-,15-,17-,20-,23-/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224779
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-cyclope...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=O)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C22H31ClN6O5/c1-22(32)16(30)14(10-33-21(31)26-13-8-4-5-9-13)34-19(22)29-11-24-15-17(25-12-6-2-3-7-12)27-20(23)28-18(15)29/h11-14,16,19,30,32H,2-10H2,1H3,(H,26,31)(H,25,27,28)/t14-,16-,19-,22-/m1/s1
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4.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane


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


(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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5.98E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)

More data for this
Ligand-Target Pair
ADORA1


(PIG)
BDBM50224784
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-cyclope...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NC2CCCC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C22H31ClN6O4S/c1-22(31)16(30)14(10-32-21(34)26-13-8-4-5-9-13)33-19(22)29-11-24-15-17(25-12-6-2-3-7-12)27-20(23)28-18(15)29/h11-14,16,19,30-31H,2-10H2,1H3,(H,26,34)(H,25,27,28)/t14-,16-,19-,22-/m1/s1
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6.85E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane


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


(PIG)
BDBM50224765
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-propylc...)
Show SMILES CCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C20H29ClN6O5/c1-3-8-22-19(29)31-9-12-14(28)20(2,30)17(32-12)27-10-23-13-15(24-11-6-4-5-7-11)25-18(21)26-16(13)27/h10-12,14,17,28,30H,3-9H2,1-2H3,(H,22,29)(H,24,25,26)/t12-,14-,17-,20-/m1/s1
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8.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane


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


(PIG)
BDBM50224769
PNG
(2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-methylt...)
Show SMILES CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O
Show InChI InChI=1S/C18H25ClN6O4S/c1-18(27)12(26)10(7-28-17(30)20-2)29-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26-27H,3-7H2,1-2H3,(H,20,30)(H,22,23,24)/t10-,12-,15-,18-/m1/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane


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


(PIG)
BDBM50224766
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-tetrahyd...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1
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9.76E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane


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


(PIG)
BDBM50224780
PNG
(CHEMBL398543 | N6-(R)-3-tetrahydrofuranyl-9H-(2-C-...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](COC(=S)NCc2ccccc2)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C23H28N6O5S/c1-23(31)18(30)16(11-33-22(35)24-9-14-5-3-2-4-6-14)34-21(23)29-13-27-17-19(25-12-26-20(17)29)28-15-7-8-32-10-15/h2-6,12-13,15-16,18,21,30-31H,7-11H2,1H3,(H,24,35)(H,25,26,28)/t15-,16-,18-,21-,23-/m1/s1
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9.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane


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


(PIG)
BDBM50224775
PNG
((2R,3R,4R,5R)-2-(6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c1-16(24)12(23)10(6-22)25-15(16)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12-,15-,16-/m1/s1
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1.14E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane


Citation and Details
More data for this
Ligand-Target Pair
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