Found 9 hits Enz. Inhib. hit(s) with all data for entry = 4790 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 A1
(Chick) | BDBM50006730
![PNG](/data/jpeg/tenK5000/BindingDB_50006730.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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 1.30 | 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
| |
J Pharmacol Exp Ther 244: 1150-6 (1988)
BindingDB Entry DOI: 10.7270/Q2KK999X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Chick) | BDBM50006730
![PNG](/data/jpeg/tenK5000/BindingDB_50006730.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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 1.70 | 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
| |
J Pharmacol Exp Ther 244: 1150-6 (1988)
BindingDB Entry DOI: 10.7270/Q2KK999X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Chick) | BDBM50009552
![PNG](/data/jpeg/tenK5000/BindingDB_50009552.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 |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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 2.5 | 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
| |
J Pharmacol Exp Ther 244: 1150-6 (1988)
BindingDB Entry DOI: 10.7270/Q2KK999X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Chick) | BDBM21220
![PNG](/data/jpeg/tenK2/BindingDB_21220.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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 14.4 | 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
| |
J Pharmacol Exp Ther 244: 1150-6 (1988)
BindingDB Entry DOI: 10.7270/Q2KK999X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Chick) | BDBM21220
![PNG](/data/jpeg/tenK2/BindingDB_21220.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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 16.9 | 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
| |
J Pharmacol Exp Ther 244: 1150-6 (1988)
BindingDB Entry DOI: 10.7270/Q2KK999X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Chick) | BDBM50006730
![PNG](/data/jpeg/tenK5000/BindingDB_50006730.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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 25.4 | 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
| |
J Pharmacol Exp Ther 244: 1150-6 (1988)
BindingDB Entry DOI: 10.7270/Q2KK999X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Chick) | BDBM50006730
![PNG](/data/jpeg/tenK5000/BindingDB_50006730.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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 38.1 | 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
| |
J Pharmacol Exp Ther 244: 1150-6 (1988)
BindingDB Entry DOI: 10.7270/Q2KK999X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Chick) | BDBM81971
![PNG](/data/jpeg/tenK8/BindingDB_81971.png) (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| 790 | 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
| |
J Pharmacol Exp Ther 244: 1150-6 (1988)
BindingDB Entry DOI: 10.7270/Q2KK999X |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Chick) | BDBM81971
![PNG](/data/jpeg/tenK8/BindingDB_81971.png) (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...)Show InChI InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL PC cid PC sid UniChem
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| 2.07E+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
| |
J Pharmacol Exp Ther 244: 1150-6 (1988)
BindingDB Entry DOI: 10.7270/Q2KK999X |
More data for this Ligand-Target Pair | |