Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50017447 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)) | BDBM50182312
((2S,3S,4R,5R)-5-(6-(3,5-dichlorobenzylamino)-9H-pu...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(Cl)cc(Cl)c3)ncnc12 Show InChI InChI=1S/C18H18Cl2N6O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-9(19)4-10(20)3-8/h2-4,6-7,12-14,18,27-28H,5H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182322
((2S,3S,4R,5R)-5-(6-(2,5-dimethoxybenzylamino)-9H-p...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cc(OC)ccc3OC)ncnc12 Show InChI InChI=1S/C20H24N6O6/c1-21-19(29)16-14(27)15(28)20(32-16)26-9-25-13-17(23-8-24-18(13)26)22-7-10-6-11(30-2)4-5-12(10)31-3/h4-6,8-9,14-16,20,27-28H,7H2,1-3H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
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 | PDB
Reactome pathway
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MCE
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PDB
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Patents
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
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 | PDB
Reactome pathway
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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 Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182326
((2S,3S,4R,5R)-5-(6-(2-(2-amino-2-oxoethoxy)-5-chlo...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(N)=O)ncnc12 Show InChI InChI=1S/C20H23ClN8O5/c1-24-19(32)16-13(23)15(31)20(34-16)29-8-28-14-17(26-7-27-18(14)29)25-5-9-4-10(21)2-3-11(9)33-6-12(22)30/h2-4,7-8,13,15-16,20,31H,5-6,23H2,1H3,(H2,22,30)(H,24,32)(H,25,26,27)/t13-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182313
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-(4-(dimethylamin...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCC(CC3)N(C)C)ncnc12 Show InChI InChI=1S/C27H36ClN9O5/c1-30-26(40)23-20(29)22(39)27(42-23)37-14-34-21-24(32-13-33-25(21)37)31-11-15-10-16(28)4-5-18(15)41-12-19(38)36-8-6-17(7-9-36)35(2)3/h4-5,10,13-14,17,20,22-23,27,39H,6-9,11-12,29H2,1-3H3,(H,30,40)(H,31,32,33)/t20-,22+,23-,27+/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182324
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-oxo-2-(piperazin...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCNCC3)ncnc12 Show InChI InChI=1S/C24H30ClN9O5/c1-27-23(37)20-17(26)19(36)24(39-20)34-12-32-18-21(30-11-31-22(18)34)29-9-13-8-14(25)2-3-15(13)38-10-16(35)33-6-4-28-5-7-33/h2-3,8,11-12,17,19-20,24,28,36H,4-7,9-10,26H2,1H3,(H,27,37)(H,29,30,31)/t17-,19+,20-,24+/m0/s1 | PDB
Reactome pathway
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182323
((2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12 Show InChI InChI=1S/C19H22ClN7O4/c1-22-18(29)15-12(21)14(28)19(31-15)27-8-26-13-16(24-7-25-17(13)27)23-6-9-5-10(20)3-4-11(9)30-2/h3-5,7-8,12,14-15,19,28H,6,21H2,1-2H3,(H,22,29)(H,23,24,25)/t12-,14+,15-,19+/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182321
((2S,3S,4R,5R)-5-(6-(2-(benzyloxy)-5-chlorobenzylam...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCc3ccccc3)ncnc12 Show InChI InChI=1S/C25H26ClN7O4/c1-28-24(35)21-18(27)20(34)25(37-21)33-13-32-19-22(30-12-31-23(19)33)29-10-15-9-16(26)7-8-17(15)36-11-14-5-3-2-4-6-14/h2-9,12-13,18,20-21,25,34H,10-11,27H2,1H3,(H,28,35)(H,29,30,31)/t18-,20+,21-,25+/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182311
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-oxo-2-(piperidin...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCCCC3)ncnc12 Show InChI InChI=1S/C25H31ClN8O5/c1-28-24(37)21-18(27)20(36)25(39-21)34-13-32-19-22(30-12-31-23(19)34)29-10-14-9-15(26)5-6-16(14)38-11-17(35)33-7-3-2-4-8-33/h5-6,9,12-13,18,20-21,25,36H,2-4,7-8,10-11,27H2,1H3,(H,28,37)(H,29,30,31)/t18-,20+,21-,25+/m0/s1 | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182318
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-morpholino-2-oxo...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCOCC3)ncnc12 Show InChI InChI=1S/C24H29ClN8O6/c1-27-23(36)20-17(26)19(35)24(39-20)33-12-31-18-21(29-11-30-22(18)33)28-9-13-8-14(25)2-3-15(13)38-10-16(34)32-4-6-37-7-5-32/h2-3,8,11-12,17,19-20,24,35H,4-7,9-10,26H2,1H3,(H,27,36)(H,28,29,30)/t17-,19+,20-,24+/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182325
((2S,3S,4R,5R)-5-(6-(3,5-dichlorobenzylamino)-9H-pu...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)cc(Cl)c3)ncnc12 Show InChI InChI=1S/C18H19Cl2N7O3/c1-22-17(29)14-11(21)13(28)18(30-14)27-7-26-12-15(24-6-25-16(12)27)23-5-8-2-9(19)4-10(20)3-8/h2-4,6-7,11,13-14,18,28H,5,21H2,1H3,(H,22,29)(H,23,24,25)/t11-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182320
((2S,4R,5R)-4-hydroxy-N-methyl-5-(6-(methylamino)-9...)Show SMILES CNC(=O)[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C12H16N6O3/c1-13-9-8-10(16-4-15-9)18(5-17-8)12-6(19)3-7(21-12)11(20)14-2/h4-7,12,19H,3H2,1-2H3,(H,14,20)(H,13,15,16)/t6-,7+,12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182317
((2S,3S,5R)-3-hydroxy-N-methyl-5-(6-(methylamino)-9...)Show SMILES CNC(=O)[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C12H16N6O3/c1-13-10-8-11(16-4-15-10)18(5-17-8)7-3-6(19)9(21-7)12(20)14-2/h4-7,9,19H,3H2,1-2H3,(H,14,20)(H,13,15,16)/t6-,7+,9-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182319
(2-(2-((9-((2R,3R,4S,5S)-4-amino-3-hydroxy-5-(methy...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(O)=O)ncnc12 Show InChI InChI=1S/C20H22ClN7O6/c1-23-19(32)16-13(22)15(31)20(34-16)28-8-27-14-17(25-7-26-18(14)28)24-5-9-4-10(21)2-3-11(9)33-6-12(29)30/h2-4,7-8,13,15-16,20,31H,5-6,22H2,1H3,(H,23,32)(H,29,30)(H,24,25,26)/t13-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182327
((2S,3S,4R,5R)-5-(6-(2,5-dimethoxybenzylamino)-9H-p...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(OC)ccc3OC)ncnc12 Show InChI InChI=1S/C20H25N7O5/c1-22-19(29)16-13(21)15(28)20(32-16)27-9-26-14-17(24-8-25-18(14)27)23-7-10-6-11(30-2)4-5-12(10)31-3/h4-6,8-9,13,15-16,20,28H,7,21H2,1-3H3,(H,22,29)(H,23,24,25)/t13-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182314
((2S,3S,4R,5R)-3-acetamido-4-hydroxy-N-methyl-5-(6-...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1NC(C)=O)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C14H19N7O4/c1-6(22)20-7-9(23)14(25-10(7)13(24)16-3)21-5-19-8-11(15-2)17-4-18-12(8)21/h4-5,7,9-10,14,23H,1-3H3,(H,16,24)(H,20,22)(H,15,17,18)/t7-,9+,10-,14+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182315
((2S,3S,4R,5R)-4-hydroxy-N-methyl-5-(6-(methylamino...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1NS(C)(=O)=O)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C13H19N7O5S/c1-14-10-7-11(17-4-16-10)20(5-18-7)13-8(21)6(19-26(3,23)24)9(25-13)12(22)15-2/h4-6,8-9,13,19,21H,1-3H3,(H,15,22)(H,14,16,17)/t6-,8+,9-,13+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182316
(1-ethyl-3-((2S,3S,4R,5R)-4-hydroxy-5-(6-(methylami...)Show SMILES CCNC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC)n1cnc2c(NC)ncnc12 Show InChI InChI=1S/C15H22N8O4/c1-4-18-15(26)22-7-9(24)14(27-10(7)13(25)17-3)23-6-21-8-11(16-2)19-5-20-12(8)23/h5-7,9-10,14,24H,4H2,1-3H3,(H,17,25)(H,16,19,20)(H2,18,22,26)/t7-,9+,10-,14+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50182324
((2S,3S,4R,5R)-5-(6-(5-chloro-2-(2-oxo-2-(piperazin...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cnc2c(NCc3cc(Cl)ccc3OCC(=O)N3CCNCC3)ncnc12 Show InChI InChI=1S/C24H30ClN9O5/c1-27-23(37)20-17(26)19(36)24(39-20)34-12-32-18-21(30-11-31-22(18)34)29-9-13-8-14(25)2-3-15(13)38-10-16(35)33-6-4-28-5-7-33/h2-3,8,11-12,17,19-20,24,28,36H,4-7,9-10,26H2,1H3,(H,27,37)(H,29,30,31)/t17-,19+,20-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of isoproterenol-induced increase of cAMP in HEK293 cell expressing human adenosine A3 receptor |
Bioorg Med Chem Lett 16: 2525-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.088
BindingDB Entry DOI: 10.7270/Q2J38S4Z |
More data for this
Ligand-Target Pair | |
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