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PubMed code 1875349

Compile data set for download or QSAR
Found 47 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 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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n/an/a 1n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009506
PNG
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
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)/t11?,13-,15-,16-,19?/m1/s1
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n/an/a 5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
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 16n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009529
PNG
(2-(6-Amino-2-{2-[4-(2-cyclohexyl-ethyl)-phenyl]-et...)
Show SMILES Nc1nc(NCCc2ccc(CCC3CCCCC3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H36N6O4/c27-23-20-24(32(15-29-20)25-22(35)21(34)19(14-33)36-25)31-26(30-23)28-13-12-18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h8-11,15-16,19,21-22,25,33-35H,1-7,12-14H2,(H3,27,28,30,31)/t19-,21-,22-,25-/m1/s1
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n/an/a 427n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009541
PNG
(2-[6-Amino-2-(2-naphthalen-2-yl-ethylamino)-purin-...)
Show SMILES Nc1nc(NCCc2ccc3ccccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H24N6O4/c23-19-16-20(28(11-25-16)21-18(31)17(30)15(10-29)32-21)27-22(26-19)24-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11,15,17-18,21,29-31H,7-8,10H2,(H3,23,24,26,27)/t15-,17-,18-,21-/m1/s1
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n/an/a 676n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009543
PNG
(2-{6-Amino-2-[2-(5,6,7,8-tetrahydro-naphthalen-2-y...)
Show SMILES Nc1nc(NCCc2ccc3CCCCc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H28N6O4/c23-19-16-20(28(11-25-16)21-18(31)17(30)15(10-29)32-21)27-22(26-19)24-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h5-6,9,11,15,17-18,21,29-31H,1-4,7-8,10H2,(H3,23,24,26,27)/t15-,17-,18-,21-/m1/s1
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n/an/a 692n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009545
PNG
(2-{6-Amino-2-[2-(1H-indol-3-yl)-ethylamino]-purin-...)
Show SMILES Nc1nc(NCCc2c[nH]c3ccccc23)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H23N7O4/c21-17-14-18(27(9-24-14)19-16(30)15(29)13(8-28)31-19)26-20(25-17)22-6-5-10-7-23-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,23,28-30H,5-6,8H2,(H3,21,22,25,26)/t13-,15-,16-,19-/m1/s1
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n/an/a 724n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009546
PNG
(2-{6-Amino-2-[2-(4-methoxy-phenyl)-ethylamino]-pur...)
Show SMILES COc1ccc(CCNc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C19H24N6O5/c1-29-11-4-2-10(3-5-11)6-7-21-19-23-16(20)13-17(24-19)25(9-22-13)18-15(28)14(27)12(8-26)30-18/h2-5,9,12,14-15,18,26-28H,6-8H2,1H3,(H3,20,21,23,24)/t12-,14-,15-,18?/m1/s1
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n/an/a 912n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50453084
PNG
(CHEMBL2374395)
Show SMILES C[C@](O)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C19H24N6O5/c1-19(29,10-5-3-2-4-6-10)8-21-18-23-15(20)12-16(24-18)25(9-22-12)17-14(28)13(27)11(7-26)30-17/h2-6,9,11,13-14,17,26-29H,7-8H2,1H3,(H3,20,21,23,24)/t11-,13-,14-,17-,19+/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009515
PNG
(2-[6-Amino-2-(2-hydroxy-2-phenyl-propylamino)-puri...)
Show SMILES Nc1nc(NC[C@@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N6O5/c19-15-12-16(24(8-21-12)17-14(28)13(27)11(7-25)29-17)23-18(22-15)20-6-10(26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,17,25-28H,6-7H2,(H3,19,20,22,23)/t10-,11-,13-,14-,17-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009540
PNG
((3-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-te...)
Show SMILES Nc1nc(NCCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H26N6O4/c18-14-11-15(22-17(21-14)19-6-5-9-3-1-2-4-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h8-10,12-13,16,24-26H,1-7H2,(H3,18,19,21,22)/t10-,12-,13-,16-/m1/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50453082
PNG
(CHEMBL2374416)
Show SMILES CC(C)(C)OC(=O)Cc1cccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
Show InChI InChI=1S/C24H32N6O6/c1-24(2,3)36-16(32)10-14-6-4-5-13(9-14)7-8-26-23-28-20(25)17-21(29-23)30(12-27-17)22-19(34)18(33)15(11-31)35-22/h4-6,9,12,15,18-19,22,31,33-34H,7-8,10-11H2,1-3H3,(H3,25,26,28,29)/t15-,18-,19-,22-/m1/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009531
PNG
(2-[6-Amino-2-(2-phenyl-propylamino)-purin-9-yl]-5-...)
Show SMILES Nc1nc(NCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h1-5,9,11,13-14,17,25-27H,6-8H2,(H3,19,20,22,23)/t11-,13-,14-,17-/m1/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009534
PNG
(2-[6-Amino-2-(2-hydroxy-2-phenyl-propylamino)-puri...)
Show SMILES Nc1nc(NC[C@H](O)c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N6O5/c19-15-12-16(24(8-21-12)17-14(28)13(27)11(7-25)29-17)23-18(22-15)20-6-10(26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,17,25-28H,6-7H2,(H3,19,20,22,23)/t10-,11+,13+,14+,17+/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50453087
PNG
(CHEMBL2374394)
Show SMILES C[C@@](O)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C19H24N6O5/c1-19(29,10-5-3-2-4-6-10)8-21-18-23-15(20)12-16(24-18)25(9-22-12)17-14(28)13(27)11(7-26)30-17/h2-6,9,11,13-14,17,26-29H,7-8H2,1H3,(H3,20,21,23,24)/t11-,13-,14-,17-,19-/m1/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009516
PNG
((4-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-te...)
Show SMILES CCOC(=O)Cc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C22H28N6O6/c1-2-33-15(30)9-13-5-3-12(4-6-13)7-8-24-22-26-19(23)16-20(27-22)28(11-25-16)21-18(32)17(31)14(10-29)34-21/h3-6,11,14,17-18,21,29,31-32H,2,7-10H2,1H3,(H3,23,24,26,27)/t14-,17-,18-,21-/m1/s1
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n/an/a 2.29E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009508
PNG
(2-{6-Amino-2-[2-(4-bromo-thiophen-2-yl)-ethylamino...)
Show SMILES Nc1nc(NCCc2cc(Br)cs2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19BrN6O4S/c17-7-3-8(28-5-7)1-2-19-16-21-13(18)10-14(22-16)23(6-20-10)15-12(26)11(25)9(4-24)27-15/h3,5-6,9,11-12,15,24-26H,1-2,4H2,(H3,18,19,21,22)/t9-,11-,12-,15-/m1/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009536
PNG
(2-[6-Amino-2-(3-phenyl-propylamino)-purin-9-yl]-5-...)
Show SMILES Nc1nc(NCCCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24N6O4/c20-16-13-17(25(10-22-13)18-15(28)14(27)12(9-26)29-18)24-19(23-16)21-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,26-28H,4,7-9H2,(H3,20,21,23,24)/t12-,14-,15-,18?/m1/s1
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n/an/a 2.57E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009535
PNG
((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...)
Show SMILES Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H26N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h4,9,11,13-14,17,25-27H,1-3,5-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 2.69E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009549
PNG
(2-[6-Amino-2-(indan-2-ylamino)-purin-9-yl]-5-hydro...)
Show SMILES Nc1nc(NC2Cc3ccccc3C2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H22N6O4/c20-16-13-17(25(8-21-13)18-15(28)14(27)12(7-26)29-18)24-19(23-16)22-11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11-12,14-15,18,26-28H,5-7H2,(H3,20,22,23,24)/t12-,14-,15-,18-/m1/s1
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n/an/a 2.95E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009519
PNG
(3-(4-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-...)
Show SMILES CCOC(=O)CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C23H30N6O6/c1-2-34-16(31)8-7-13-3-5-14(6-4-13)9-10-25-23-27-20(24)17-21(28-23)29(12-26-17)22-19(33)18(32)15(11-30)35-22/h3-6,12,15,18-19,22,30,32-33H,2,7-11H2,1H3,(H3,24,25,27,28)/t15-,18-,19-,22-/m1/s1
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n/an/a 3.63E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009532
PNG
(2-[6-Amino-2-(2-phenoxy-ethylamino)-purin-9-yl]-5-...)
Show SMILES Nc1nc(NCCOc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H22N6O5/c19-15-12-16(24(9-21-12)17-14(27)13(26)11(8-25)29-17)23-18(22-15)20-6-7-28-10-4-2-1-3-5-10/h1-5,9,11,13-14,17,25-27H,6-8H2,(H3,19,20,22,23)/t11-,13-,14-,17-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009539
PNG
(2-{6-Amino-2-[2-(4-phenethyl-phenyl)-ethylamino]-p...)
Show SMILES Nc1nc(NCCc2ccc(CCc3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H30N6O4/c27-23-20-24(32(15-29-20)25-22(35)21(34)19(14-33)36-25)31-26(30-23)28-13-12-18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,15,19,21-22,25,33-35H,6-7,12-14H2,(H3,27,28,30,31)/t19-,21-,22-,25-/m1/s1
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n/an/a 3.89E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50453086
PNG
(CHEMBL2374393)
Show SMILES CCOP(=O)(CCc1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1)OCC
Show InChI InChI=1S/C24H35N6O7P/c1-3-35-38(34,36-4-2)12-10-16-7-5-15(6-8-16)9-11-26-24-28-21(25)18-22(29-24)30(14-27-18)23-20(33)19(32)17(13-31)37-23/h5-8,14,17,19-20,23,31-33H,3-4,9-13H2,1-2H3,(H3,25,26,28,29)/t17-,19-,20-,23-/m1/s1
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n/an/a 3.89E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009528
PNG
(CHEMBL2374415 | [2-(4-{2-[6-Amino-9-(3,4-dihydroxy...)
Show SMILES Nc1nc(NCCCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H26N6O4/c21-17-14-18(26(11-23-14)19-16(29)15(28)13(10-27)30-19)25-20(24-17)22-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,15-16,19,27-29H,4-5,8-10H2,(H3,21,22,24,25)/t13-,15-,16-,19-/m1/s1
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n/an/a 3.89E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009514
PNG
(2-[6-Amino-2-(2-pyridin-2-yl-ethylamino)-purin-9-y...)
Show SMILES Nc1nc(NCCc2ccccn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H21N7O4/c18-14-11-15(23-17(22-14)20-6-4-9-3-1-2-5-19-9)24(8-21-11)16-13(27)12(26)10(7-25)28-16/h1-3,5,8,10,12-13,16,25-27H,4,6-7H2,(H3,18,20,22,23)/t10-,12-,13-,16-/m1/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009533
PNG
(2-{6-Amino-2-[(2-cyclohexyl-ethyl)-methyl-amino]-p...)
Show SMILES CN(CCC1CCCCC1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H30N6O4/c1-24(8-7-11-5-3-2-4-6-11)19-22-16(20)13-17(23-19)25(10-21-13)18-15(28)14(27)12(9-26)29-18/h10-12,14-15,18,26-28H,2-9H2,1H3,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
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n/an/a 5.13E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009542
PNG
(2-[6-Amino-2-(4-cyclohexyl-butylamino)-purin-9-yl]...)
Show SMILES CC1(C)[C@@H]2C[C@H]1C=C(CCNc1nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n1)C2
Show InChI InChI=1S/C21H30N6O4/c1-21(2)11-5-10(6-12(21)7-11)3-4-23-20-25-17(22)14-18(26-20)27(9-24-14)19-16(30)15(29)13(8-28)31-19/h5,9,11-13,15-16,19,28-30H,3-4,6-8H2,1-2H3,(H3,22,23,25,26)/t11-,12+,13-,15-,16-,19-/m1/s1
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n/an/a 5.25E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50453085
PNG
(CHEMBL2374396)
Show SMILES Nc1nc(NCCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H32N6O4/c21-17-14-18(26(11-23-14)19-16(29)15(28)13(10-27)30-19)25-20(24-17)22-9-5-4-8-12-6-2-1-3-7-12/h11-13,15-16,19,27-29H,1-10H2,(H3,21,22,24,25)/t13-,15-,16-,19-/m1/s1
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n/an/a 5.25E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009520
PNG
(2-[6-Amino-2-(methyl-phenethyl-amino)-purin-9-yl]-...)
Show SMILES CN(CCc1ccccc1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H24N6O4/c1-24(8-7-11-5-3-2-4-6-11)19-22-16(20)13-17(23-19)25(10-21-13)18-15(28)14(27)12(9-26)29-18/h2-6,10,12,14-15,18,26-28H,7-9H2,1H3,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
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n/an/a 5.62E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009551
PNG
(2-[6-Amino-2-(3-ethyl-pentylamino)-purin-9-yl]-5-h...)
Show SMILES CCC(CC)CCNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H28N6O4/c1-3-9(4-2)5-6-19-17-21-14(18)11-15(22-17)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h8-10,12-13,16,24-26H,3-7H2,1-2H3,(H3,18,19,21,22)/t10-,12-,13-,16-/m1/s1
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n/an/a 5.89E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009548
PNG
(2-[6-Amino-2-(4-phenyl-butylamino)-purin-9-yl]-5-h...)
Show SMILES C[C@H](CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C19H24N6O4/c1-10(11-5-3-2-4-6-11)7-21-19-23-16(20)13-17(24-19)25(9-22-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H3,20,21,23,24)/t10-,12-,14-,15-,18-/m1/s1
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n/an/a 6.92E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009511
PNG
(4-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tet...)
Show SMILES CC(C)(C)OC(=O)c1ccc(CCNc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Show InChI InChI=1S/C23H30N6O6/c1-23(2,3)35-21(33)13-6-4-12(5-7-13)8-9-25-22-27-18(24)15-19(28-22)29(11-26-15)20-17(32)16(31)14(10-30)34-20/h4-7,11,14,16-17,20,30-32H,8-10H2,1-3H3,(H3,24,25,27,28)/t14-,16-,17-,20-/m1/s1
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n/an/a 7.24E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50453083
PNG
(CHEMBL2374398)
Show SMILES Nc1nc(NCCc2ccc(\C=C\c3ccccc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H28N6O4/c27-23-20-24(32(15-29-20)25-22(35)21(34)19(14-33)36-25)31-26(30-23)28-13-12-18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-11,15,19,21-22,25,33-35H,12-14H2,(H3,27,28,30,31)/b7-6+/t19-,21-,22-,25-/m1/s1
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n/an/a 7.59E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009537
PNG
(2-{6-Amino-2-[2-(4-styryl-phenyl)-ethylamino]-puri...)
Show SMILES Nc1nc(NCCN2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H25N7O5/c17-13-10-14(21-16(20-13)18-1-2-22-3-5-27-6-4-22)23(8-19-10)15-12(26)11(25)9(7-24)28-15/h8-9,11-12,15,24-26H,1-7H2,(H3,17,18,20,21)/t9-,11-,12-,15-/m1/s1
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n/an/a 7.59E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009527
PNG
(2-[6-Amino-2-(2-bicyclo[2.2.1]hept-2-yl-ethylamino...)
Show SMILES Nc1nc(NCC[C@H]2CC3CCC2C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H28N6O4/c20-16-13-17(25(8-22-13)18-15(28)14(27)12(7-26)29-18)24-19(23-16)21-4-3-11-6-9-1-2-10(11)5-9/h8-12,14-15,18,26-28H,1-7H2,(H3,20,21,23,24)/t9?,10?,11-,12+,14+,15+,18+/m0/s1
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n/an/a 7.59E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
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 7.76E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50453081
PNG
(CHEMBL2374397)
Show SMILES Nc1nc(NCCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H30N6O4/c20-16-13-17(25(10-22-13)18-15(28)14(27)12(9-26)29-18)24-19(23-16)21-8-4-7-11-5-2-1-3-6-11/h10-12,14-15,18,26-28H,1-9H2,(H3,20,21,23,24)/t12-,14-,15-,18-/m1/s1
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n/an/a 8.32E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM82022
PNG
(2-(Phenylamino)ado (CV-1808) | 2-[6-Amino-2-(3-cyc...)
Show SMILES Nc1nc(Nc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
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n/an/a 8.32E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009513
PNG
(2-[2-(2-Adamantan-1-yl-ethylamino)-6-amino-purin-9...)
Show SMILES Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H32N6O4/c23-18-15-19(28(10-25-15)20-17(31)16(30)14(9-29)32-20)27-21(26-18)24-2-1-22-6-11-3-12(7-22)5-13(4-11)8-22/h10-14,16-17,20,29-31H,1-9H2,(H3,23,24,26,27)/t11?,12?,13?,14-,16-,17-,20-,22?/m1/s1
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n/an/a 9.77E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009547
PNG
(2-[6-Amino-2-(2-methyl-2-phenyl-propylamino)-purin...)
Show SMILES CC(C)(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1
Show InChI InChI=1S/C20H26N6O4/c1-20(2,11-6-4-3-5-7-11)9-22-19-24-16(21)13-17(25-19)26(10-23-13)18-15(29)14(28)12(8-27)30-18/h3-7,10,12,14-15,18,27-29H,8-9H2,1-2H3,(H3,21,22,24,25)/t12-,14-,15-,18-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009538
PNG
(2-{6-Amino-2-[2-(tetrahydro-pyran-4-yl)-ethylamino...)
Show SMILES Nc1nc(NCCC2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H26N6O5/c18-14-11-15(22-17(21-14)19-4-1-9-2-5-27-6-3-9)23(8-20-11)16-13(26)12(25)10(7-24)28-16/h8-10,12-13,16,24-26H,1-7H2,(H3,18,19,21,22)/t10-,12-,13-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009550
PNG
(2-(6-Amino-2-benzylamino-purin-9-yl)-5-hydroxymeth...)
Show SMILES Nc1nc(NCc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(22-17(21-14)19-6-9-4-2-1-3-5-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h1-5,8,10,12-13,16,24-26H,6-7H2,(H3,18,19,21,22)/t10-,12-,13-,16?/m1/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009509
PNG
((CGS 22,492) 2-[6-Amino-2-(2-cyclohexyl-ethylamino...)
Show SMILES Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H28N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,1-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009530
PNG
(3-(4-{2-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-...)
Show SMILES Nc1nc(NCCc2ccc(CCC(O)=O)cc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H26N6O6/c22-18-15-19(27(10-24-15)20-17(32)16(31)13(9-28)33-20)26-21(25-18)23-8-7-12-3-1-11(2-4-12)5-6-14(29)30/h1-4,10,13,16-17,20,28,31-32H,5-9H2,(H,29,30)(H3,22,23,25,26)/t13-,16-,17-,20?/m1/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009525
PNG
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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


(Rattus norvegicus (rat))
BDBM50009521
PNG
(2-[6-Amino-2-(2,2-diphenyl-ethylamino)-purin-9-yl]...)
Show SMILES Nc1nc(NCC(c2ccccc2)c2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H26N6O4/c25-21-18-22(30(13-27-18)23-20(33)19(32)17(12-31)34-23)29-24(28-21)26-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16-17,19-20,23,31-33H,11-12H2,(H3,25,26,28,29)/t17-,19-,20-,23?/m1/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor


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