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Compile Data Set for Download or QSAR

Found 14 hits of ic50 data for polymerid = 49000137,49000139,49000140,49000141,49000144   
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


(Chick)
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM42467
PNG
((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50315857
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...)
Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367494
PNG
(CHEMBL608800)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(I)cc3)ncnc12
Show InChI InChI=1S/C16H16IN5O4/c17-8-1-3-9(4-2-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367273
PNG
(CHEMBL605042)
Show SMILES Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C17H19N5O4/c1-9-2-4-10(5-3-9)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)26-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17?/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367493
PNG
(CHEMBL607777)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C16H16FN5O4/c17-8-2-1-3-9(4-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
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n/an/a 10.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367496
PNG
(CHEMBL609650)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(O)c3)ncnc12
Show InChI InChI=1S/C16H17N5O5/c22-5-10-12(24)13(25)16(26-10)21-7-19-11-14(17-6-18-15(11)21)20-8-2-1-3-9(23)4-8/h1-4,6-7,10,12-13,16,22-25H,5H2,(H,17,18,20)/t10-,12-,13-,16?/m1/s1
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n/an/a 11.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using [125I]-ABA in chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367500
PNG
(CHEMBL608798)
Show SMILES CCc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H21N5O4/c1-2-10-3-5-11(6-4-10)22-16-13-17(20-8-19-16)23(9-21-13)18-15(26)14(25)12(7-24)27-18/h3-6,8-9,12,14-15,18,24-26H,2,7H2,1H3,(H,19,20,22)/t12-,14-,15-,18?/m1/s1
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n/an/a 12.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367501
PNG
(CHEMBL610427)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C16H16FN5O4/c17-8-1-3-9(4-2-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
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n/an/a 13.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
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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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367495
PNG
(CHEMBL607951)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C16H16IN5O4/c17-8-2-1-3-9(4-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367498
PNG
(CHEMBL607666)
Show SMILES CCc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H21N5O4/c1-2-10-4-3-5-11(6-10)22-16-13-17(20-8-19-16)23(9-21-13)18-15(26)14(25)12(7-24)27-18/h3-6,8-9,12,14-15,18,24-26H,2,7H2,1H3,(H,19,20,22)/t12-,14-,15-,18?/m1/s1
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n/an/a 25.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367497
PNG
(CHEMBL608217)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3cccc(c3)B(O)O)ncnc12
Show InChI InChI=1S/C16H18BN5O6/c23-5-10-12(24)13(25)16(28-10)22-7-20-11-14(18-6-19-15(11)22)21-9-3-1-2-8(4-9)17(26)27/h1-4,6-7,10,12-13,16,23-27H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
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n/an/a 42.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair
ADORA1


(Chick)
BDBM50367499
PNG
(CHEMBL609086)
Show SMILES Nc1cccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C16H18N6O4/c17-8-2-1-3-9(4-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5,17H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
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n/an/a 45.1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane


J Med Chem 30: 954-6 (1987)

More data for this
Ligand-Target Pair