Found 10 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 A1
(Homo sapiens (Human)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| 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)/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement. |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | 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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement. |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50370303
(CHEMBL605486)Show SMILES Nc1nc(N=NNC(=O)Nc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5| Show InChI InChI=1S/C17H18ClN9O5/c18-7-2-1-3-8(4-7)21-17(31)25-26-24-16-22-13(19)10-14(23-16)27(6-20-10)15-12(30)11(29)9(5-28)32-15/h1-4,6,9,11-12,15,28-30H,5H2,(H4,19,21,22,23,24,25,31)/t9-,11-,12-,15?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Leiden University
Curated by ChEMBL
| Assay Description In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement. |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50370303
(CHEMBL605486)Show SMILES Nc1nc(N=NNC(=O)Nc2cccc(Cl)c2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5| Show InChI InChI=1S/C17H18ClN9O5/c18-7-2-1-3-8(4-7)21-17(31)25-26-24-16-22-13(19)10-14(23-16)27(6-20-10)15-12(30)11(29)9(5-28)32-15/h1-4,6,9,11-12,15,28-30H,5H2,(H4,19,21,22,23,24,25,31)/t9-,11-,12-,15?/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Leiden University
Curated by ChEMBL
| Assay Description Binding affinity for human Adenosine A3 receptor using [125 I]-IABMECA |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description Tested for binding affinity towards human adenosine A2A receptor using [3H]ZM-241385 as radioligand |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| 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)/t8-,10-,11-,14-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50370311
(CHEMBL603394)Show SMILES Nc1nc(NN=NC(=O)Oc2ccccc2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:6.6| Show InChI InChI=1S/C17H18N8O6/c18-13-10-14(25(7-19-10)15-12(28)11(27)9(6-26)31-15)21-16(20-13)22-24-23-17(29)30-8-4-2-1-3-5-8/h1-5,7,9,11-12,15,26-28H,6H2,(H3,18,20,21,22,23,29)/t9-,11-,12-,15?/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 577 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| 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)/t8-,10-,11-,14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 639 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description Tested for binding affinity towards human adenosine A2A receptor using [3H]ZM-241385 as radioligand |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| 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)/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description Inhibition of cAMP formation in CHO cells expressing adenosine A1 receptor |
J Med Chem 46: 1492-503 (2003)
Article DOI: 10.1021/jm021074j BindingDB Entry DOI: 10.7270/Q2MG7Q7H |
More data for this Ligand-Target Pair | |