Found 4 hits of kd for drug = Aerolate 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 A2a
(Homo sapiens (Human)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 3.63E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00099 BindingDB Entry DOI: 10.7270/Q23200WW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by ChEMBL
| Assay Description Dissociation constant against Adenosine A1 receptor |
J Med Chem 48: 2026-35 (2005)
Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX |
More data for this Ligand-Target Pair | |
Palmitoleoyl-protein carboxylesterase NOTUM
(Homo sapiens (Human)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 6.80E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01974 BindingDB Entry DOI: 10.7270/Q2NP28F9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Palmitoleoyl-protein carboxylesterase NOTUM
(Homo sapiens (Human)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 7.00E+6 | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cía, S.A.
Curated by ChEMBL
| Assay Description Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria |
J Med Chem 40: 547-58 (1997)
Article DOI: 10.1021/jm9604383 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |