Found 101 hits of ki data for polymerid = 49000144,49000168,49000169,49000172,5538 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Adenosine receptor A3
(Sheep) | BDBM50207816
(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) | KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)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) | KEGG
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| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50006730
((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) | KEGG
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| Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)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) | KEGG
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| Article PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM50006730
((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) | Reactome pathway
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| 1.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM50034171
(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23) | UniProtKB/SwissProt
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM25400
((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 | Reactome pathway
UniProtKB/TrEMBL
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| Article PubMed
| 2.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM50034171
(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23) | Reactome pathway
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM81925
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) | KEGG
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| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM82557
(I-ABA | IABA | N(6)-(4-Amino-3-iodobenzyl)adenosin...)Show SMILES Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I Show InChI InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1 | UniProtKB/SwissProt
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM85777
(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 | Reactome pathway
UniProtKB/TrEMBL
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| PC cid PC sid UniChem
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| Article PubMed
| 6.79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Transmembrane and immunoglobulin domain-containing 3
(RAT) | BDBM82528
(N6-BenzylNECA)Show SMILES CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C20H24N6O5/c1-2-21-20(29)30-9-13-15(27)16(28)19(31-13)26-11-25-14-17(23-10-24-18(14)26)22-8-12-6-4-3-5-7-12/h3-7,10-11,13,15-16,19,27-28H,2,8-9H2,1H3,(H,21,29)(H,22,23,24)/t13-,15-,16-,19?/m1/s1 | KEGG
UniProtKB/TrEMBL
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| PC cid PC sid UniChem
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| PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes, Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 1101-11 (1994)
BindingDB Entry DOI: 10.7270/Q26Q1VR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)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) | Reactome pathway
UniProtKB/TrEMBL
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| Article PubMed
| 6.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50006730
((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) | KEGG
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| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50006730
((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) | KEGG
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| Article PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | Reactome pathway
UniProtKB/TrEMBL
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| Article PubMed
| 14.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM50009552
(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 |r| 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 | Reactome pathway
UniProtKB/TrEMBL
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| Article PubMed
| 17.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM85036
(BW-A1433 | BWA1433 | CAS_129447 | NSC_129447)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22| Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+ | KEGG
UniProtKB/SwissProt
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Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM21220
((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 | UniProtKB/SwissProt
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM21220
((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 | KEGG
UniProtKB/SwissProt
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| Article PubMed
| 32.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Transmembrane and immunoglobulin domain-containing 3
(RAT) | BDBM50021484
(5-(6-Cyclohexylamino-purin-9-yl)-3,4-dihydroxy-tet...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCCC3)ncnc12 Show InChI InChI=1S/C18H26N6O4/c1-2-19-17(27)14-12(25)13(26)18(28-14)24-9-22-11-15(20-8-21-16(11)24)23-10-6-4-3-5-7-10/h8-10,12-14,18,25-26H,2-7H2,1H3,(H,19,27)(H,20,21,23) | KEGG
UniProtKB/TrEMBL
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| PC cid PC sid UniChem
Similars
| PubMed
| 33.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 978-82 (1994)
BindingDB Entry DOI: 10.7270/Q2J101P9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM85036
(BW-A1433 | BWA1433 | CAS_129447 | NSC_129447)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22| Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+ | Reactome pathway
UniProtKB/TrEMBL
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| Article PubMed
| 36.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM21220
((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 | Reactome pathway
UniProtKB/TrEMBL
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| 37.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)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) | KEGG
UniProtKB/SwissProt
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| Article PubMed
| 39.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM50037785
(2-(6-{[2-(4-aminophenyl)ethyl]amino}-9H-purin-9-yl...)Show SMILES Nc1ccc(CCNc2ncnc3n(cnc23)C2OC(CO)C(O)C2O)cc1 Show InChI InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22) | UniProtKB/SwissProt
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM25400
((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 | UniProtKB/SwissProt
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM50006730
((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) | UniProtKB/SwissProt
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM82032
(1,3-Dipropyl-3,7-dihydro-purine-2,6-dione | 1,3-Di...)Show InChI InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13) | Reactome pathway
UniProtKB/TrEMBL
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| Article PubMed
| 53.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM85037
(ABA | CAS_14375-45-2)Show SMILES CC(C=C[C@@]1(O)C(C)=CC(=O)CC1(C)C)=CC(O)=O |r,w:2.1,15.16,c:7| Show InChI InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/t15-/m1/s1 | Reactome pathway
UniProtKB/TrEMBL
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| 56.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM85037
(ABA | CAS_14375-45-2)Show SMILES CC(C=C[C@@]1(O)C(C)=CC(=O)CC1(C)C)=CC(O)=O |r,w:2.1,15.16,c:7| Show InChI InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/t15-/m1/s1 | UniProtKB/SwissProt
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| 169 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Transmembrane and immunoglobulin domain-containing 3
(RAT) | BDBM50006730
((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) | KEGG
UniProtKB/TrEMBL
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| 218 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 978-82 (1994)
BindingDB Entry DOI: 10.7270/Q2J101P9 |
More data for this Ligand-Target Pair | |
Transmembrane and immunoglobulin domain-containing 3
(RAT) | BDBM21220
((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 | KEGG
UniProtKB/TrEMBL
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| 261 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 978-82 (1994)
BindingDB Entry DOI: 10.7270/Q2J101P9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM50207816
(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) | UniProtKB/SwissProt
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| 329 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM50006730
((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) | KEGG
UniProtKB/SwissProt
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| Article PubMed
| 366 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |
Transmembrane and immunoglobulin domain-containing 3
(RAT) | BDBM82537
(NECA-N1-oxide)Show SMILES CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2C(N)N(O)C=Nc12 |c:23| Show InChI InChI=1S/C13H20N6O6/c1-2-15-13(22)24-3-6-8(20)9(21)12(25-6)18-4-16-7-10(14)19(23)5-17-11(7)18/h4-6,8-10,12,20-21,23H,2-3,14H2,1H3,(H,15,22)/t6-,8-,9-,10?,12?/m1/s1 | KEGG
UniProtKB/TrEMBL
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| PubMed
| 468 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes, Digestive and Kidney Diseases
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 1101-11 (1994)
BindingDB Entry DOI: 10.7270/Q26Q1VR9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM99209
(US8501708, 33)Show SMILES COc1cccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1 | UniProtKB/SwissProt
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| US Patent
| 551 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors. |
US Patent US8501708 (2013)
BindingDB Entry DOI: 10.7270/Q2QN65CZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM85036
(BW-A1433 | BWA1433 | CAS_129447 | NSC_129447)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 |w:21.22| Show InChI InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+ | UniProtKB/SwissProt
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| 746 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM99193
(US8501708, 13)Show SMILES Cc1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H29N5O5/c1-13-5-7-14(8-6-13)10-32-16-4-2-3-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h5-8,11-12,15-17,19-20,23,29-31H,2-4,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1 | UniProtKB/SwissProt
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| US Patent
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors. |
US Patent US8501708 (2013)
BindingDB Entry DOI: 10.7270/Q2QN65CZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM85775
(CHEMBL315984 | MRS1097)Show SMILES CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(N=C1C)c1ccccc1 |c:21,23| Show InChI InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21-22H,4-5H2,1-3H3/b17-16+ | Reactome pathway
UniProtKB/TrEMBL
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| 990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Mus musculus) | BDBM50171290
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31) | KEGG
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| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-Synthelabo Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 905-14 (2004)
Article DOI: 10.1124/jpet.104.067884 BindingDB Entry DOI: 10.7270/Q2RR1WTX |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)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) | UniProtKB/SwissProt
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| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 280: 122-8 (1997)
BindingDB Entry DOI: 10.7270/Q2J67FFH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM99201
(US8501708, 21)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1 | UniProtKB/SwissProt
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| US Patent
| 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors. |
US Patent US8501708 (2013)
BindingDB Entry DOI: 10.7270/Q2QN65CZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM99202
(US8501708, 22)Show SMILES COc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1 | UniProtKB/SwissProt
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| US Patent
| 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors. |
US Patent US8501708 (2013)
BindingDB Entry DOI: 10.7270/Q2QN65CZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM99197
(US8501708, 17)Show SMILES Cc1ccccc1CO[C@H]1CCCC1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors. |
US Patent US8501708 (2013)
BindingDB Entry DOI: 10.7270/Q2QN65CZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM99198
(US8501708, 18)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(F)c3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors. |
US Patent US8501708 (2013)
BindingDB Entry DOI: 10.7270/Q2QN65CZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM99199
(US8501708, 19)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3ccc(F)cc3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors. |
US Patent US8501708 (2013)
BindingDB Entry DOI: 10.7270/Q2QN65CZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Chick) | BDBM85776
(CAS_393594 | CHEMBL89852 | MRS1191 | NSC_393594)Show SMILES CCOC(=O)C1C(C#Cc2ccccc2)C(C(=O)OCc2ccccc2)=C(N=C1C)c1ccccc1 |c:27,29| Show InChI InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26-27H,3,21H2,1-2H3 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001)
Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM99200
(US8501708, 20)Show SMILES CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19+,21+,22+,25?/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors. |
US Patent US8501708 (2013)
BindingDB Entry DOI: 10.7270/Q2QN65CZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Oryctolagus cuniculus (rabbit)) | BDBM99203
(US8501708, 23)Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2nc(Cl)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H28ClN5O5/c1-12-4-2-5-13(8-12)10-33-15-7-3-6-14(15)26-20-17-21(28-23(24)27-20)29(11-25-17)22-19(32)18(31)16(9-30)34-22/h2,4-5,8,11,14-16,18-19,22,30-32H,3,6-7,9-10H2,1H3,(H,26,27,28)/t14?,15-,16+,18+,19+,22?/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors. |
US Patent US8501708 (2013)
BindingDB Entry DOI: 10.7270/Q2QN65CZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Sheep) | BDBM21220
((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 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 2.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Heidelberg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)
Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN |
More data for this Ligand-Target Pair | |