Found 248 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399572
(CHEMBL2180931)Show SMILES C[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 |r| Show InChI InChI=1S/C19H17N7O/c1-12(13-7-4-3-5-8-13)20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-9-6-10-27-15/h3-12H,1-2H3,(H,20,22,23)/t12-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399597
(CHEMBL2180906)Show SMILES Cn1cc2c(n1)nc(NC(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C24H19N7O/c1-30-15-18-21(28-30)27-24(31-23(18)26-22(29-31)19-13-8-14-32-19)25-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,25,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399570
(CHEMBL2180933)Show SMILES Cc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C19H17N7O/c1-12-5-7-13(8-6-12)10-20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-4-3-9-27-15/h3-9,11H,10H2,1-2H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399568
(CHEMBL2180935)Show SMILES Cn1cc2c(n1)nc(NCc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14ClN7O/c1-25-10-13-15(23-25)22-18(20-9-11-4-6-12(19)7-5-11)26-17(13)21-16(24-26)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399573
(CHEMBL2180930)Show SMILES Cn1cc2c(n1)nc(NCc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c1-24-11-13-15(22-24)21-18(19-10-12-6-3-2-4-7-12)25-17(13)20-16(23-25)14-8-5-9-26-14/h2-9,11H,10H2,1H3,(H,19,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399571
(CHEMBL2180932)Show SMILES C[C@@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 |r| Show InChI InChI=1S/C19H17N7O/c1-12(13-7-4-3-5-8-13)20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-9-6-10-27-15/h3-12H,1-2H3,(H,20,22,23)/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399584
(CHEMBL2181156)Show InChI InChI=1S/C19H25N7O/c1-4-6-8-13(5-2)11-20-19-22-16-14(12-25(3)23-16)18-21-17(24-26(18)19)15-9-7-10-27-15/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399567
(CHEMBL2180936)Show SMILES Cn1cc2c(n1)nc(NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14FN7O/c1-25-10-13-15(23-25)22-18(20-9-11-4-6-12(19)7-5-11)26-17(13)21-16(24-26)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399588
(CHEMBL2181152)Show SMILES CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C15H17N7O/c1-4-9(2)16-15-18-12-10(8-21(3)19-12)14-17-13(20-22(14)15)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,18,19)/t9-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399588
(CHEMBL2181152)Show SMILES CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C15H17N7O/c1-4-9(2)16-15-18-12-10(8-21(3)19-12)14-17-13(20-22(14)15)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,18,19)/t9-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399569
(CHEMBL2180934)Show SMILES COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C19H17N7O2/c1-25-11-14-16(23-25)22-19(20-10-12-5-7-13(27-2)8-6-12)26-18(14)21-17(24-26)15-4-3-9-28-15/h3-9,11H,10H2,1-2H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399580
(CHEMBL2181160)Show InChI InChI=1S/C16H17N7O/c1-22-9-11-13(20-22)19-16(17-10-5-2-3-6-10)23-15(11)18-14(21-23)12-7-4-8-24-12/h4,7-10H,2-3,5-6H2,1H3,(H,17,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399579
(CHEMBL2181161)Show InChI InChI=1S/C17H19N7O/c1-23-10-12-14(21-23)20-17(18-11-6-3-2-4-7-11)24-16(12)19-15(22-24)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,18,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399586
(CHEMBL2181154)Show InChI InChI=1S/C18H23N7O/c1-4-5-6-8-12(2)19-18-21-15-13(11-24(3)22-15)17-20-16(23-25(17)18)14-9-7-10-26-14/h7,9-12H,4-6,8H2,1-3H3,(H,19,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399589
(CHEMBL2181151)Show SMILES CC[C@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C15H17N7O/c1-4-9(2)16-15-18-12-10(8-21(3)19-12)14-17-13(20-22(14)15)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,18,19)/t9-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399587
(CHEMBL2181153)Show InChI InChI=1S/C16H19N7O/c1-3-4-5-8-17-16-19-13-11(10-22(2)20-13)15-18-14(21-23(15)16)12-7-6-9-24-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399566
(CHEMBL2180937)Show SMILES Cn1cc2c(n1)nc(NCc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H14F3N7O/c1-28-10-13-15(26-28)25-18(23-9-11-4-6-12(7-5-11)19(20,21)22)29-17(13)24-16(27-29)14-3-2-8-30-14/h2-8,10H,9H2,1H3,(H,23,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399578
(CHEMBL2181162)Show SMILES Cn1cc2c(n1)nc(NC1CCCCCC1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H21N7O/c1-24-11-13-15(22-24)21-18(19-12-7-4-2-3-5-8-12)25-17(13)20-16(23-25)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399577
(CHEMBL2181163)Show SMILES Cn1cc2c(n1)nc(NC1CCCCCCC1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H23N7O/c1-25-12-14-16(23-25)22-19(20-13-8-5-3-2-4-6-9-13)26-18(14)21-17(24-26)15-10-7-11-27-15/h7,10-13H,2-6,8-9H2,1H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399581
(CHEMBL2181159)Show InChI InChI=1S/C15H15N7O/c1-21-8-10-12(19-21)18-15(16-9-4-2-5-9)22-14(10)17-13(20-22)11-6-3-7-23-11/h3,6-9H,2,4-5H2,1H3,(H,16,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399604
(CHEMBL2180924)Show SMILES CN(Cc1ccccc1)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c1-24(11-13-7-4-3-5-8-13)19-21-16-14(12-25(2)22-16)18-20-17(23-26(18)19)15-9-6-10-27-15/h3-10,12H,11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399574
(CHEMBL2180929)Show SMILES Cn1cc2c(n1)nc(NC1C3CC4CC(C3)CC1C4)n1nc(nc21)-c1ccco1 |TLB:8:9:11.12.18:15.14.16,8:9:11:15.14.13,THB:13:12:9:15.14.16,13:14:9:11.12.18,16:17:11:15.14.13,16:14:11:9.18.17,(18.41,-21.76,;19.17,-20.43,;20.71,-20.26,;21.02,-18.75,;19.69,-17.99,;18.54,-19.02,;19.69,-16.45,;21.02,-15.67,;21.02,-14.13,;19.69,-13.36,;18.29,-12.8,;16.79,-13.22,;17.98,-11.95,;17.98,-10.46,;19.32,-9.98,;18.28,-11.22,;20.72,-10.56,;20.71,-12.09,;19.31,-12.44,;22.35,-16.45,;23.82,-15.97,;24.72,-17.22,;23.82,-18.47,;22.35,-17.99,;26.25,-17.22,;27.16,-15.97,;28.62,-16.45,;28.62,-17.99,;27.16,-18.46,)| Show InChI InChI=1S/C21H23N7O/c1-27-10-15-18(25-27)24-21(28-20(15)23-19(26-28)16-3-2-4-29-16)22-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,10-14,17H,5-9H2,1H3,(H,22,24,25) | PDB
Reactome pathway
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UniChem
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PubMed
| 18.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399565
(CHEMBL2180938)Show SMILES COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC Show InChI InChI=1S/C20H19N7O3/c1-26-11-13-17(24-26)23-20(21-10-12-6-7-14(28-2)16(9-12)29-3)27-19(13)22-18(25-27)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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UniChem
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| Article
PubMed
| 21.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399585
(CHEMBL2181155)Show InChI InChI=1S/C19H25N7O/c1-4-5-6-7-9-13(2)20-19-22-16-14(12-25(3)23-16)18-21-17(24-26(18)19)15-10-8-11-27-15/h8,10-13H,4-7,9H2,1-3H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 23.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399560
(CHEMBL2181141)Show SMILES Cn1cc2c(n1)nc(NCCc1c[nH]c3ccccc13)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H18N8O/c1-28-12-15-18(26-28)25-21(29-20(15)24-19(27-29)17-7-4-10-30-17)22-9-8-13-11-23-16-6-3-2-5-14(13)16/h2-7,10-12,23H,8-9H2,1H3,(H,22,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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PC sid
UniChem
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| Article
PubMed
| 30.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399605
(CHEMBL2180923)Show SMILES CN(C1CCCCC1)c1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H21N7O/c1-23-11-13-15(21-23)20-18(24(2)12-7-4-3-5-8-12)25-17(13)19-16(22-25)14-9-6-10-26-14/h6,9-12H,3-5,7-8H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 32.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399590
(CHEMBL2181149)Show InChI InChI=1S/C14H15N7O/c1-8(2)15-14-17-11-9(7-20(3)18-11)13-16-12(19-21(13)14)10-5-4-6-22-10/h4-8H,1-3H3,(H,15,17,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 34.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399601
(CHEMBL2180927)Show InChI InChI=1S/C15H15N7O/c1-20-9-10-12(18-20)17-15(21-6-2-3-7-21)22-14(10)16-13(19-22)11-5-4-8-23-11/h4-5,8-9H,2-3,6-7H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399608
(CHEMBL2180920)Show InChI InChI=1S/C16H19N7O/c1-4-5-8-21(2)16-18-13-11(10-22(3)19-13)15-17-14(20-23(15)16)12-7-6-9-24-12/h6-7,9-10H,4-5,8H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 36.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399562
(CHEMBL2181139)Show SMILES COc1ccc(CCNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC Show InChI InChI=1S/C21H21N7O3/c1-27-12-14-18(25-27)24-21(28-20(14)23-19(26-28)16-5-4-10-31-16)22-9-8-13-6-7-15(29-2)17(11-13)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399561
(CHEMBL2181140)Show SMILES CC(CCc1ccccc1)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H21N7O/c1-14(10-11-15-7-4-3-5-8-15)22-21-24-18-16(13-27(2)25-18)20-23-19(26-28(20)21)17-9-6-12-29-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399575
(CHEMBL2180928)Show SMILES Cn1cc2c(n1)nc(NC13CC4CC(CC(C4)C1)C3)n1nc(nc21)-c1ccco1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C21H23N7O/c1-27-11-15-17(25-27)23-20(28-19(15)22-18(26-28)16-3-2-4-29-16)24-21-8-12-5-13(9-21)7-14(6-12)10-21/h2-4,11-14H,5-10H2,1H3,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399600
(CHEMBL2180907)Show InChI InChI=1S/C16H17N7O/c1-21-10-11-13(19-21)18-16(22-7-3-2-4-8-22)23-15(11)17-14(20-23)12-6-5-9-24-12/h5-6,9-10H,2-4,7-8H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 38.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50399571
(CHEMBL2180932)Show SMILES C[C@@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 |r| Show InChI InChI=1S/C19H17N7O/c1-12(13-7-4-3-5-8-13)20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-9-6-10-27-15/h3-12H,1-2H3,(H,20,22,23)/t12-/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
| 38.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399610
(CHEMBL2180918)Show SMILES Cn1cc2c(n1)nc(NCCOc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H17N7O2/c1-25-12-14-16(23-25)22-19(20-9-11-27-13-6-3-2-4-7-13)26-18(14)21-17(24-26)15-8-5-10-28-15/h2-8,10,12H,9,11H2,1H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 38.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399591
(CHEMBL2181148)Show InChI InChI=1S/C13H13N7O/c1-3-14-13-16-10-8(7-19(2)17-10)12-15-11(18-20(12)13)9-5-4-6-21-9/h4-7H,3H2,1-2H3,(H,14,16,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 44.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50399563
(CHEMBL2180940)Show SMILES Cn1cc2c(n1)nc(NCCc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c1-25-12-14-16(23-25)22-19(20-10-9-13-6-3-2-4-7-13)26-18(14)21-17(24-26)15-8-5-11-27-15/h2-8,11-12H,9-10H2,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 46.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399576
(CHEMBL2181164)Show SMILES Cn1cc2c(n1)nc(NCC1CCCCC1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H21N7O/c1-24-11-13-15(22-24)21-18(19-10-12-6-3-2-4-7-12)25-17(13)20-16(23-25)14-8-5-9-26-14/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,19,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399563
(CHEMBL2180940)Show SMILES Cn1cc2c(n1)nc(NCCc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H17N7O/c1-25-12-14-16(23-25)22-19(20-10-9-13-6-3-2-4-7-13)26-18(14)21-17(24-26)15-8-5-11-27-15/h2-8,11-12H,9-10H2,1H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 52.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50399572
(CHEMBL2180931)Show SMILES C[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1 |r| Show InChI InChI=1S/C19H17N7O/c1-12(13-7-4-3-5-8-13)20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-9-6-10-27-15/h3-12H,1-2H3,(H,20,22,23)/t12-/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
| 55.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399556
(CHEMBL2180911)Show InChI InChI=1S/C15H17N7O2/c1-3-9(8-23)16-15-18-12-10(7-21(2)19-12)14-17-13(20-22(14)15)11-5-4-6-24-11/h4-7,9,23H,3,8H2,1-2H3,(H,16,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399592
(CHEMBL2181147)Show InChI InChI=1S/C12H11N7O/c1-13-12-15-9-7(6-18(2)16-9)11-14-10(17-19(11)12)8-4-3-5-20-8/h3-6H,1-2H3,(H,13,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50399565
(CHEMBL2180938)Show SMILES COc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1OC Show InChI InChI=1S/C20H19N7O3/c1-26-11-13-17(24-26)23-20(21-10-12-6-7-14(28-2)16(9-12)29-3)27-19(13)22-18(25-27)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 64.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50399582
(CHEMBL2181158)Show InChI InChI=1S/C14H13N7O/c1-20-7-9-11(18-20)17-14(15-8-4-5-8)21-13(9)16-12(19-21)10-3-2-6-22-10/h2-3,6-8H,4-5H2,1H3,(H,15,17,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50399568
(CHEMBL2180935)Show SMILES Cn1cc2c(n1)nc(NCc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14ClN7O/c1-25-10-13-15(23-25)22-18(20-9-11-4-6-12(19)7-5-11)26-17(13)21-16(24-26)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 75.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50399560
(CHEMBL2181141)Show SMILES Cn1cc2c(n1)nc(NCCc1c[nH]c3ccccc13)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H18N8O/c1-28-12-15-18(26-28)25-21(29-20(15)24-19(27-29)17-7-4-10-30-17)22-9-8-13-11-23-16-6-3-2-5-14(13)16/h2-7,10-12,23H,8-9H2,1H3,(H,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50399580
(CHEMBL2181160)Show InChI InChI=1S/C16H17N7O/c1-22-9-11-13(20-22)19-16(17-10-5-2-3-6-10)23-15(11)18-14(21-23)12-7-4-8-24-12/h4,7-10H,2-3,5-6H2,1H3,(H,17,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50399581
(CHEMBL2181159)Show InChI InChI=1S/C15H15N7O/c1-21-8-10-12(19-21)18-15(16-9-4-2-5-9)22-14(10)17-13(20-22)11-6-3-7-23-11/h3,6-9H,2,4-5H2,1H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 83.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50399567
(CHEMBL2180936)Show SMILES Cn1cc2c(n1)nc(NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14FN7O/c1-25-10-13-15(23-25)22-18(20-9-11-4-6-12(19)7-5-11)26-17(13)21-16(24-26)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 87.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50399573
(CHEMBL2180930)Show SMILES Cn1cc2c(n1)nc(NCc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c1-24-11-13-15(22-24)21-18(19-10-12-6-3-2-4-7-12)25-17(13)20-16(23-25)14-8-5-9-26-14/h2-9,11H,10H2,1H3,(H,19,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
J Med Chem 55: 9654-68 (2012)
Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK |
More data for this
Ligand-Target Pair | |
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