Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50036460 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
(Rattus norvegicus (rat)) | BDBM50369168
(CHEMBL608918)Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454422
(CHEMBL2113525)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8-/t17-,18+,19-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454421
(CHEMBL2113529)Show SMILES CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H28N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-8H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369168
(CHEMBL608918)Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454091
(CHEMBL2113450)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r| Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454423
(CHEMBL2113528)Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50119168
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453224
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454426
(CHEMBL2304158)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\CCCc3ccccc3)nc12 Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8+/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50119153
((2R,3R,4S,5R)-2-[6-Amino-2-((E)-hex-1-enyl)-purin-...)Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5+/t9-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454422
(CHEMBL2113525)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8-/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369167
(CHEMBL611256)Show SMILES CCCC\C=C/c1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7-/t12-,13+,14-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50119168
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454425
(CHEMBL2113526)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\c3ccccc3)nc12 |r| Show InChI InChI=1S/C20H22N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/b9-8+/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50205705
((2S,3S,4R)-5-((R)-6-amino-2-phenylethynyl-9H-purin...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453224
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
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 |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454421
(CHEMBL2113529)Show SMILES CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H28N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-8H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454091
(CHEMBL2113450)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r| Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454425
(CHEMBL2113526)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\c3ccccc3)nc12 |r| Show InChI InChI=1S/C20H22N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/b9-8+/t14-,15+,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454423
(CHEMBL2113528)Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50119153
((2R,3R,4S,5R)-2-[6-Amino-2-((E)-hex-1-enyl)-purin-...)Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5+/t9-,12-,13-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 332 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454424
(CHEMBL2113527)Show SMILES CCCC\C=C/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5-/t9-,12-,13-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 618 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50205705
((2S,3S,4R)-5-((R)-6-amino-2-phenylethynyl-9H-purin...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 698 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454424
(CHEMBL2113527)Show SMILES CCCC\C=C/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5-/t9-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 757 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50369167
(CHEMBL611256)Show SMILES CCCC\C=C/c1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7-/t12-,13+,14-,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 951 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454426
(CHEMBL2304158)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\CCCc3ccccc3)nc12 Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8+/t17-,18+,19-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369167
(CHEMBL611256)Show SMILES CCCC\C=C/c1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7-/t12-,13+,14-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 676 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50369167
(CHEMBL611256)Show SMILES CCCC\C=C/c1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7-/t12-,13+,14-,18?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453224
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 596 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50119168
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50205705
((2S,3S,4R)-5-((R)-6-amino-2-phenylethynyl-9H-purin...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454091
(CHEMBL2113450)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r| Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 497 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50119168
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454421
(CHEMBL2113529)Show SMILES CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H28N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-8H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454426
(CHEMBL2304158)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\CCCc3ccccc3)nc12 Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8+/t17-,18+,19-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50369168
(CHEMBL608918)Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453224
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454425
(CHEMBL2113526)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\c3ccccc3)nc12 |r| Show InChI InChI=1S/C20H22N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/b9-8+/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454422
(CHEMBL2113525)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8-/t17-,18+,19-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454425
(CHEMBL2113526)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\c3ccccc3)nc12 |r| Show InChI InChI=1S/C20H22N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/b9-8+/t14-,15+,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 194 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454423
(CHEMBL2113528)Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 594 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 394 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454424
(CHEMBL2113527)Show SMILES CCCC\C=C/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H23N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h5-6,8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/b6-5-/t9-,12-,13-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454423
(CHEMBL2113528)Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454422
(CHEMBL2113525)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8-/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454426
(CHEMBL2304158)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\CCCc3ccccc3)nc12 Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8+/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 576 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50454091
(CHEMBL2113450)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r| Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Search and Browse
