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Compile Data Set for Download or QSAR

Found 9 hits of ec50 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)
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Citation and Details
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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n/an/an/an/a 18.3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


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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n/an/an/an/a 31.6n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


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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n/an/an/an/a 165n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


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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n/an/an/an/a 326n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Citation and Details
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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n/an/an/an/a 2.40E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Citation and Details
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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n/an/an/an/a 2.76E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


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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n/an/an/an/a 3.62E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Citation and Details
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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n/an/an/an/a 5.00E+3n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding


Citation and Details
More data for this
Ligand-Target Pair