Found 16 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50122928
(5-{6-[5-Chloro-2-(3-methyl-isoxazol-5-ylmethoxy)-b...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 Show InChI InChI=1S/C23H24ClN7O6/c1-11-5-14(37-30-11)8-35-15-4-3-13(24)6-12(15)7-26-20-16-21(28-9-27-20)31(10-29-16)23-18(33)17(32)19(36-23)22(34)25-2/h3-6,9-10,17-19,23,32-33H,7-8H2,1-2H3,(H,25,34)(H,26,27,28)/t17-,18+,19-,23+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50118812
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| 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)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50122927
((2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methyla...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-13-9-5-10(16-3-15-9)18(4-17-5)12-7(20)6(19)8(22-12)11(21)14-2/h3-4,6-8,12,19-20H,1-2H3,(H,14,21)(H,13,15,16)/t6-,7+,8-,12+/m0/s1 | Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50122926
(3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylme...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 Show InChI InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1 | Reactome pathway
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | 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
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50118812
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| 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)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50122927
((2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methyla...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-13-9-5-10(16-3-15-9)18(4-17-5)12-7(20)6(19)8(22-12)11(21)14-2/h3-4,6-8,12,19-20H,1-2H3,(H,14,21)(H,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway
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PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50122928
(5-{6-[5-Chloro-2-(3-methyl-isoxazol-5-ylmethoxy)-b...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 Show InChI InChI=1S/C23H24ClN7O6/c1-11-5-14(37-30-11)8-35-15-4-3-13(24)6-12(15)7-26-20-16-21(28-9-27-20)31(10-29-16)23-18(33)17(32)19(36-23)22(34)25-2/h3-6,9-10,17-19,23,32-33H,7-8H2,1-2H3,(H,25,34)(H,26,27,28)/t17-,18+,19-,23+/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50122929
(3-Amino-4-hydroxy-5-[6-(3-iodo-benzylamino)-purin-...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN7O3/c1-21-17(28)14-11(20)13(27)18(29-14)26-8-25-12-15(23-7-24-16(12)26)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,27H,6,20H2,1H3,(H,21,28)(H,22,23,24)/t11-,13+,14-,18+/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
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| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50122930
((2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-(6-(met...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C12H17N7O3/c1-14-9-6-10(17-3-16-9)19(4-18-6)12-7(20)5(13)8(22-12)11(21)15-2/h3-5,7-8,12,20H,13H2,1-2H3,(H,15,21)(H,14,16,17)/t5-,7+,8-,12+/m0/s1 | Reactome pathway
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PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A3 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50122929
(3-Amino-4-hydroxy-5-[6-(3-iodo-benzylamino)-purin-...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN7O3/c1-21-17(28)14-11(20)13(27)18(29-14)26-8-25-12-15(23-7-24-16(12)26)22-6-9-3-2-4-10(19)5-9/h2-5,7-8,11,13-14,18,27H,6,20H2,1H3,(H,21,28)(H,22,23,24)/t11-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
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PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50122926
(3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylme...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 Show InChI InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1 | PDB
Reactome pathway
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| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50122930
((2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-(6-(met...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C12H17N7O3/c1-14-9-6-10(17-3-16-9)19(4-18-6)12-7(20)5(13)8(22-12)11(21)15-2/h3-5,7-8,12,20H,13H2,1-2H3,(H,15,21)(H,14,16,17)/t5-,7+,8-,12+/m0/s1 | PDB
Reactome pathway
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| 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity using [125I]-ABA against human Adenosine A1 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50122926
(3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylme...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3cc(C)no3)ncnc12 Show InChI InChI=1S/C23H25ClN8O5/c1-11-5-14(37-31-11)8-35-15-4-3-13(24)6-12(15)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of isoproterenol-stimulated cAMP accumulation in HEK 293 cells expressing human Adenosine A3 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50118812
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| 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)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of isoproterenol-stimulated cAMP accumulation in HEK 293 cells expressing human Adenosine A3 receptor |
J Med Chem 46: 353-5 (2003)
Article DOI: 10.1021/jm0255724
BindingDB Entry DOI: 10.7270/Q2416WDM |
More data for this
Ligand-Target Pair | |
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