Found 37 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)) | BDBM50162482
(5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahy...)Show SMILES O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O4/c15-14-18-10(17-6-3-1-2-4-6)7-11(19-14)20(5-16-7)12-8(21)9(22)13(23)24-12/h5-6,8-9,12-13,21-23H,1-4H2,(H,17,18,19)/t8-,9+,12-,13+/m1/s1 | PDB
Reactome pathway
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| CHEMBL
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UniChem
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A1 receptor subtype expressed in CHO cells |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50224770
((2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-...)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1 | PDB
Reactome pathway
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| 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
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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| 8.80 | 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 [125I]AB-MECA from adenosine A3 receptors in bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50224775
((2R,3R,4R,5R)-2-(6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C16H23N5O4/c1-16(24)12(23)10(6-22)25-15(16)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12-,15-,16-/m1/s1 | PDB
Reactome pathway
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| 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | 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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| 12 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | 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
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| 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50088422
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1 | Reactome pathway
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PubMed
| 15.2 | 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 [125I]AB-MECA from adenosine A3 receptors in bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
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
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| PDB
Article
PubMed
| 16 | 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-21680 binding to adenosine A2A receptors of bovine striatal membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A1
(BOVINE) | BDBM50088422
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1 | PDB
Reactome pathway
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PubMed
| 23 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50410289
(CHEMBL2113609)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C17H25N5O4/c1-17(25)13(24)11(7-23)26-16(17)22-9-20-12-14(18-8-19-15(12)22)21-10-5-3-2-4-6-10/h8-11,13,16,23-25H,2-7H2,1H3,(H,18,19,21)/t11-,13-,16-,17-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 30 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(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
MMDB
NCI pathway
Reactome pathway
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| Article
PubMed
| 40 | 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-21680 binding to adenosine A2A receptors of bovine striatal membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50162482
(5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahy...)Show SMILES O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O4/c15-14-18-10(17-6-3-1-2-4-6)7-11(19-14)20(5-16-7)12-8(21)9(22)13(23)24-12/h5-6,8-9,12-13,21-23H,1-4H2,(H,17,18,19)/t8-,9+,12-,13+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A3 receptor subtype expressed in CHO cells |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
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
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CHEMBL
MCE
MMDB
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PC sid
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| Article
PubMed
| 73 | 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 [125I]AB-MECA from adenosine A3 receptors in bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50162479
(5-Hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-...)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN5O4/c1-18(27)14(26)12(7-25)28-17(18)24-9-23-13-15(21-8-22-16(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14,17,25-27H,6-7H2,1H3,(H,20,21,22)/t12-,14-,17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 85 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50088422
((2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 121 | 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-21680 binding to adenosine A2A receptors of bovine striatal membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50162479
(5-Hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-...)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN5O4/c1-18(27)14(26)12(7-25)28-17(18)24-9-23-13-15(21-8-22-16(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14,17,25-27H,6-7H2,1H3,(H,20,21,22)/t12-,14-,17-,18-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 163 | 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 [125I]AB-MECA from adenosine A3 receptors in bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50162487
(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)Show SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C19H21IN6O4/c1-19(29)14(27)13(17(28)21-2)30-18(19)26-9-25-12-15(23-8-24-16(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-14,18,27,29H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,18+,19+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 240 | 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 [125I]AB-MECA from adenosine A3 receptors in bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50410283
(CHEMBL2113608)Show SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O |r| Show InChI InChI=1S/C19H20ClIN6O4/c1-19(30)13(28)12(16(29)22-2)31-17(19)27-8-24-11-14(25-18(20)26-15(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-13,17,28,30H,7H2,1-2H3,(H,22,29)(H,23,25,26)/t12-,13+,17+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 325 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50370620
(CHEMBL611115)Show SMILES C[C@@]1(O)[C@@H](CO)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c1-16(24)10(6-22)25-15(12(16)23)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12+,15?,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50162487
(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)Show SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C19H21IN6O4/c1-19(29)14(27)13(17(28)21-2)30-18(19)26-9-25-12-15(23-8-24-16(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-14,18,27,29H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,18+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50369352
(CHEMBL606495)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)OC1n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C11H14ClN5O4/c1-11(20)6(19)4(2-18)21-9(11)17-3-14-5-7(13)15-10(12)16-8(5)17/h3-4,6,9,18-20H,2H2,1H3,(H2,13,15,16)/t4-,6-,9?,11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50410284
(CHEMBL2113641)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C18H21N5O4/c1-18(26)14(25)12(8-24)27-17(18)23-10-22-13-15(20-9-21-16(13)23)19-7-11-5-3-2-4-6-11/h2-6,9-10,12,14,17,24-26H,7-8H2,1H3,(H,19,20,21)/t12-,14-,17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 460 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50162479
(5-Hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-...)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H20IN5O4/c1-18(27)14(26)12(7-25)28-17(18)24-9-23-13-15(21-8-22-16(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14,17,25-27H,6-7H2,1H3,(H,20,21,22)/t12-,14-,17-,18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 470 | 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-21680 binding to adenosine A2A receptors of bovine striatal membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50408412
(CHEMBL2113418)Show SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@](C)(O)[C@@H]1O |r| Show InChI InChI=1S/C13H18N6O4/c1-3-15-11(21)7-8(20)13(2,22)12(23-7)19-5-18-6-9(14)16-4-17-10(6)19/h4-5,7-8,12,20,22H,3H2,1-2H3,(H,15,21)(H2,14,16,17)/t7-,8+,12+,13+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 770 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 890 | 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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50144948
((2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H15N5O4/c1-11(19)7(18)5(2-17)20-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,10-,11-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.12E+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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50162487
(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)Show SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C19H21IN6O4/c1-19(29)14(27)13(17(28)21-2)30-18(19)26-9-25-12-15(23-8-24-16(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-14,18,27,29H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,18+,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.26E+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]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50410287
(CHEMBL2113640)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)nc(NC)nc12 |r| Show InChI InChI=1S/C20H24IN7O4/c1-20(31)13(29)18(32-14(20)17(30)22-2)28-9-25-12-15(26-19(23-3)27-16(12)28)24-8-10-5-4-6-11(21)7-10/h4-7,9,13-14,18,29,31H,8H2,1-3H3,(H,22,30)(H2,23,24,26,27)/t13-,14+,18+,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.31E+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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50162482
(5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahy...)Show SMILES O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O4/c15-14-18-10(17-6-3-1-2-4-6)7-11(19-14)20(5-16-7)12-8(21)9(22)13(23)24-12/h5-6,8-9,12-13,21-23H,1-4H2,(H,17,18,19)/t8-,9+,12-,13+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+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
Binding affinity for human adenosine A2a receptor subtype expressed in CHO cells |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50410290
(CHEMBL2113642)Show SMILES C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H19ClIN5O4/c1-18(28)11(7-26)29-16(13(18)27)25-8-22-12-14(23-17(19)24-15(12)25)21-6-9-3-2-4-10(20)5-9/h2-5,8,11,13,16,26-28H,6-7H2,1H3,(H,21,23,24)/t11-,13+,16-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30E+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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50410285
(CHEMBL2113607)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O4/c1-19(30)12(28)17(31-13(19)16(29)22-2)27-8-24-11-14(25-18(20)26-15(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-13,17,28,30H,7H2,1-2H3,(H,22,29)(H,23,25,26)/t12-,13+,17+,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.53E+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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50369352
(CHEMBL606495)Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CO)OC1n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C11H14ClN5O4/c1-11(20)6(19)4(2-18)21-9(11)17-3-14-5-7(13)15-10(12)16-8(5)17/h3-4,6,9,18-20H,2H2,1H3,(H2,13,15,16)/t4-,6-,9?,11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.89E+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]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50410286
(CHEMBL481858)Show SMILES C[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H22ClN5O4/c1-16(25)9(6-23)26-14(11(16)24)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11+,14-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.37E+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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50410288
(CHEMBL2113643)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C19H21IN6O4/c1-19(29)13(27)18(30-14(19)17(28)21-2)26-9-25-12-15(23-8-24-16(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-14,18,27,29H,7H2,1-2H3,(H,21,28)(H,22,23,24)/t13-,14+,18+,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.62E+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]DPCPX binding to adenosine A1 receptors of bovine cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50162482
(5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahy...)Show SMILES O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O4/c15-14-18-10(17-6-3-1-2-4-6)7-11(19-14)20(5-16-7)12-8(21)9(22)13(23)24-12/h5-6,8-9,12-13,21-23H,1-4H2,(H,17,18,19)/t8-,9+,12-,13+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Binding affinity for human adenosine A2b receptor subtype expressed in CHO cells |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenylate cyclase type 2
(Rattus norvegicus) | BDBM50162490
(5-(6-Cyclohexylamino-purin-9-yl)-tetrahydro-furan-...)Show SMILES O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-10-11(22)15(23)24-14(10)20-7-18-9-12(16-6-17-13(9)20)19-8-4-2-1-3-5-8/h6-8,10-11,14-15,21-23H,1-5H2,(H,16,17,19)/t10-,11+,14-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Inhibition of adenylyl cyclase activity in rat cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
Adenylate cyclase type 2
(Rattus norvegicus) | BDBM50370620
(CHEMBL611115)Show SMILES C[C@@]1(O)[C@@H](CO)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c1-16(24)10(6-22)25-15(12(16)23)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12+,15?,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 304 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Inhibition of adenylyl cyclase activity in rat cortical membranes |
J Med Chem 48: 1550-62 (2005)
Article DOI: 10.1021/jm049408n
BindingDB Entry DOI: 10.7270/Q25X29PX |
More data for this
Ligand-Target Pair | |
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