Found 69 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)) | BDBM50375504
(CHEMBL259704)Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375500
(CHEMBL259607)Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375499
(CHEMBL259319)Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375497
(CHEMBL259075)Show SMILES CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C21H18N4O/c1-2-9-18(26)23-21-24-19(15-10-5-3-6-11-15)17(14-22)20(25-21)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375495
(CHEMBL440416)Show SMILES CC(C)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C21H18N4O/c1-14(2)20(26)25-21-23-18(15-9-5-3-6-10-15)17(13-22)19(24-21)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375505
(CHEMBL259736)Show InChI InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375489
(CHEMBL258924)Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(12-6-7-14-15(8-12)24-10-23-14)21-18(22-17(13)20)11-4-2-1-3-5-11/h1-8H,10H2,(H2,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375500
(CHEMBL259607)Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375481
(CHEMBL260890)Show SMILES O=C(Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-21(17-11-5-2-6-12-17)26-22(19)27-23(28)18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375488
(CHEMBL260396)Show SMILES O=C(Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(17-10-11-19-20(12-17)31-14-30-19)26-22(15-6-2-1-3-7-15)27-23(18)28-24(29)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway
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antibodypedia
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| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375496
(CHEMBL258989)Show SMILES CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-3-16(4-2)22(28)27-23-25-20(17-11-7-5-8-12-17)19(15-24)21(26-23)18-13-9-6-10-14-18/h5-14,16H,3-4H2,1-2H3,(H,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375484
(CHEMBL409126)Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H19N3O3/c1-2-6-20(25)23-19-12-16(15-9-10-17-18(11-15)27-13-26-17)22-21(24-19)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,22,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375507
(CHEMBL261088)Show SMILES O=C(Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H21N3O3/c27-22(16-8-4-5-9-16)26-23-24-18(15-6-2-1-3-7-15)13-19(25-23)17-10-11-20-21(12-17)29-14-28-20/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,24,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375498
(CHEMBL259933)Show SMILES CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H18N4O3/c1-2-6-19(27)24-22-25-20(14-7-4-3-5-8-14)16(12-23)21(26-22)15-9-10-17-18(11-15)29-13-28-17/h3-5,7-11H,2,6,13H2,1H3,(H,24,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375494
(CHEMBL261085)Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CC1 Show InChI InChI=1S/C21H16N4O/c22-13-17-18(14-7-3-1-4-8-14)23-21(25-20(26)16-11-12-16)24-19(17)15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,23,24,25,26) | PDB
Reactome pathway
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM49037
(4-amino-2,6-diphenyl-5-pyrimidinecarbonitrile | 4-...)Show InChI InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(21-16(14)19)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50163463
(2-Amino-4-benzo[1,3]dioxol-5-yl-6-(2-hydroxy-ethyl...)Show InChI InChI=1S/C16H12N4O3S/c17-6-10-14(9-1-2-12-13(5-9)23-8-22-12)11(7-18)16(20-15(10)19)24-4-3-21/h1-2,5,21H,3-4,8H2,(H2,19,20) | PDB
Reactome pathway
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375480
(CHEMBL259532)Show InChI InChI=1S/C21H18N4O/c1-2-9-18(26)23-21-17(14-22)19(15-10-5-3-6-11-15)24-20(25-21)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,23,24,25,26) | PDB
Reactome pathway
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375482
(CHEMBL409125)Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CC1 Show InChI InChI=1S/C21H17N3O3/c25-21(14-6-7-14)24-19-11-16(15-8-9-17-18(10-15)27-12-26-17)22-20(23-19)13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,22,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375508
(CHEMBL410317)Show SMILES CCCC(=O)Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1 Show InChI InChI=1S/C22H18N4O3/c1-2-6-19(27)24-22-16(12-23)20(15-9-10-17-18(11-15)29-13-28-17)25-21(26-22)14-7-4-3-5-8-14/h3-5,7-11H,2,6,13H2,1H3,(H,24,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375486
(CHEMBL258834)Show InChI InChI=1S/C17H13N3O2/c18-16-9-13(12-6-7-14-15(8-12)22-10-21-14)19-17(20-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375485
(CHEMBL259392)Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CCCC1 Show InChI InChI=1S/C23H21N3O3/c27-23(16-8-4-5-9-16)26-21-13-18(17-10-11-19-20(12-17)29-14-28-19)24-22(25-21)15-6-2-1-3-7-15/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,24,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375501
(CHEMBL260891)Show SMILES CCC(CC)C(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C23H23N3O3/c1-3-15(4-2)22(27)26-23-24-18(16-8-6-5-7-9-16)13-19(25-23)17-10-11-20-21(12-17)29-14-28-20/h5-13,15H,3-4,14H2,1-2H3,(H,24,25,26,27) | 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 |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375490
(CHEMBL261185)Show InChI InChI=1S/C16H13N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375506
(CHEMBL412141)Show SMILES CCC(CC)C(=O)Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1 Show InChI InChI=1S/C24H22N4O3/c1-3-15(4-2)24(29)28-23-18(13-25)21(17-10-11-19-20(12-17)31-14-30-19)26-22(27-23)16-8-6-5-7-9-16/h5-12,15H,3-4,14H2,1-2H3,(H,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM49037
(4-amino-2,6-diphenyl-5-pyrimidinecarbonitrile | 4-...)Show InChI InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(21-16(14)19)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375498
(CHEMBL259933)Show SMILES CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H18N4O3/c1-2-6-19(27)24-22-25-20(14-7-4-3-5-8-14)16(12-23)21(26-22)15-9-10-17-18(11-15)29-13-28-17/h3-5,7-11H,2,6,13H2,1H3,(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375505
(CHEMBL259736)Show InChI InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375487
(CHEMBL406788)Show InChI InChI=1S/C16H13N3/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 25.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375499
(CHEMBL259319)Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375483
(CHEMBL261198)Show SMILES CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C23H23N3O3/c1-3-15(4-2)23(27)26-21-13-18(17-10-11-19-20(12-17)29-14-28-19)24-22(25-21)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,24,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375479
(CHEMBL405614)Show SMILES O=C(Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1)C1CC1 Show InChI InChI=1S/C21H16N4O/c22-13-17-18(14-7-3-1-4-8-14)23-19(15-9-5-2-6-10-15)24-20(17)25-21(26)16-11-12-16/h1-10,16H,11-12H2,(H,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50375482
(CHEMBL409125)Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CC1 Show InChI InChI=1S/C21H17N3O3/c25-21(14-6-7-14)24-19-11-16(15-8-9-17-18(10-15)27-12-26-17)22-20(23-19)13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,22,23,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375493
(CHEMBL430230)Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C24H15ClN4O/c25-19-13-11-18(12-14-19)23(30)29-24-27-21(16-7-3-1-4-8-16)20(15-26)22(28-24)17-9-5-2-6-10-17/h1-14H,(H,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375503
(CHEMBL406714)Show InChI InChI=1S/C17H13N3O2/c18-17-19-13(11-4-2-1-3-5-11)9-14(20-17)12-6-7-15-16(8-12)22-10-21-15/h1-9H,10H2,(H2,18,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375495
(CHEMBL440416)Show SMILES CC(C)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C21H18N4O/c1-14(2)20(26)25-21-23-18(15-9-5-3-6-10-15)17(13-22)19(24-21)16-11-7-4-8-12-16/h3-12,14H,1-2H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375502
(CHEMBL407609)Show SMILES CCCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H19N3O3/c1-2-6-20(25)24-21-22-16(14-7-4-3-5-8-14)12-17(23-21)15-9-10-18-19(11-15)27-13-26-18/h3-5,7-12H,2,6,13H2,1H3,(H,22,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375489
(CHEMBL258924)Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(12-6-7-14-15(8-12)24-10-23-14)21-18(22-17(13)20)11-4-2-1-3-5-11/h1-8H,10H2,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375494
(CHEMBL261085)Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CC1 Show InChI InChI=1S/C21H16N4O/c22-13-17-18(14-7-3-1-4-8-14)23-21(25-20(26)16-11-12-16)24-19(17)15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 45.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375497
(CHEMBL259075)Show SMILES CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C21H18N4O/c1-2-9-18(26)23-21-24-19(15-10-5-3-6-11-15)17(14-22)20(25-21)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375479
(CHEMBL405614)Show SMILES O=C(Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1)C1CC1 Show InChI InChI=1S/C21H16N4O/c22-13-17-18(14-7-3-1-4-8-14)23-19(15-9-5-2-6-10-15)24-20(17)25-21(26)16-11-12-16/h1-10,16H,11-12H2,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 49.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50375484
(CHEMBL409126)Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H19N3O3/c1-2-6-20(25)23-19-12-16(15-9-10-17-18(11-15)27-13-26-17)22-21(24-19)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,22,23,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 53.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375496
(CHEMBL258989)Show SMILES CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-3-16(4-2)22(28)27-23-25-20(17-11-7-5-8-12-17)19(15-24)21(26-23)18-13-9-6-10-14-18/h5-14,16H,3-4H2,1-2H3,(H,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375482
(CHEMBL409125)Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CC1 Show InChI InChI=1S/C21H17N3O3/c25-21(14-6-7-14)24-19-11-16(15-8-9-17-18(10-15)27-12-26-17)22-20(23-19)13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375480
(CHEMBL259532)Show InChI InChI=1S/C21H18N4O/c1-2-9-18(26)23-21-17(14-22)19(15-10-5-3-6-11-15)24-20(25-21)16-12-7-4-8-13-16/h3-8,10-13H,2,9H2,1H3,(H,23,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375493
(CHEMBL430230)Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C24H15ClN4O/c25-19-13-11-18(12-14-19)23(30)29-24-27-21(16-7-3-1-4-8-16)20(15-26)22(28-24)17-9-5-2-6-10-17/h1-14H,(H,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 92.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375492
(CHEMBL408911)Show SMILES COc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c1-31-20-14-12-19(13-15-20)24(30)29-25-27-22(17-8-4-2-5-9-17)21(16-26)23(28-25)18-10-6-3-7-11-18/h2-15H,1H3,(H,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375491
(CHEMBL261667)Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C25H18N4O/c1-17-12-14-20(15-13-17)24(30)29-25-27-22(18-8-4-2-5-9-18)21(16-26)23(28-25)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375491
(CHEMBL261667)Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C25H18N4O/c1-17-12-14-20(15-13-17)24(30)29-25-27-22(18-8-4-2-5-9-18)21(16-26)23(28-25)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375504
(CHEMBL259704)Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 159 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375487
(CHEMBL406788)Show InChI InChI=1S/C16H13N3/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 169 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50375485
(CHEMBL259392)Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CCCC1 Show InChI InChI=1S/C23H21N3O3/c27-23(16-8-4-5-9-16)26-21-13-18(17-10-11-19-20(12-17)29-14-28-19)24-22(25-21)15-6-2-1-3-7-15/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,24,25,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 186 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375484
(CHEMBL409126)Show SMILES CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H19N3O3/c1-2-6-20(25)23-19-12-16(15-9-10-17-18(11-15)27-13-26-17)22-21(24-19)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 222 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375481
(CHEMBL260890)Show SMILES O=C(Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-21(17-11-5-2-6-12-17)26-22(19)27-23(28)18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375492
(CHEMBL408911)Show SMILES COc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c1-31-20-14-12-19(13-15-20)24(30)29-25-27-22(17-8-4-2-5-9-17)21(16-26)23(28-25)18-10-6-3-7-11-18/h2-15H,1H3,(H,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375485
(CHEMBL259392)Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CCCC1 Show InChI InChI=1S/C23H21N3O3/c27-23(16-8-4-5-9-16)26-21-13-18(17-10-11-19-20(12-17)29-14-28-19)24-22(25-21)15-6-2-1-3-7-15/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375503
(CHEMBL406714)Show InChI InChI=1S/C17H13N3O2/c18-17-19-13(11-4-2-1-3-5-11)9-14(20-17)12-6-7-15-16(8-12)22-10-21-15/h1-9H,10H2,(H2,18,19,20) | 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
| 381 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375490
(CHEMBL261185)Show InChI InChI=1S/C16H13N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 405 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375486
(CHEMBL258834)Show InChI InChI=1S/C17H13N3O2/c18-16-9-13(12-6-7-14-15(8-12)22-10-21-14)19-17(20-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 557 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50375483
(CHEMBL261198)Show SMILES CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C23H23N3O3/c1-3-15(4-2)23(27)26-21-13-18(17-10-11-19-20(12-17)29-14-28-19)24-22(25-21)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 574 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50375483
(CHEMBL261198)Show SMILES CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C23H23N3O3/c1-3-15(4-2)23(27)26-21-13-18(17-10-11-19-20(12-17)29-14-28-19)24-22(25-21)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,24,25,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 634 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375504
(CHEMBL259704)Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of CPA-induced decrease in forskolin-stimulated cAMP production... |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375488
(CHEMBL260396)Show SMILES O=C(Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(17-10-11-19-20(12-17)31-14-30-19)26-22(15-6-2-1-3-7-15)27-23(18)28-24(29)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research
Curated by ChEMBL
| Assay Description
Activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of CPA-induced decrease in forskolin-stimulated cAMP production... |
Bioorg Med Chem 16: 2741-52 (2008)
Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW |
More data for this
Ligand-Target Pair | |
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