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Compile Data Set for Download or QSAR
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Found
23
Enz. Inhib. hit(s) with all data for entry = 5135
Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50106543
(5-[6-(4-Amino-3-iodo-benzylamino)-purin-9-yl]-3,4-...)
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Affinity Data
Ki: 0.640nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
Ligand Info
ChEBI
CHEMBL
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PC sid
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Article
PubMed
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Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
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Affinity Data
Ki: 1nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
MMDB
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PC sid
PDB
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Article
PubMed
PDB
3D Structure (crystal)
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Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50034171
(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
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Affinity Data
Ki: 1.20nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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PC cid
PC sid
PDB
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In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
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Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
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Affinity Data
Ki: 4.18nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
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PC sid
PDB
Patents
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In Depth
Details
Article
PubMed
Copy BDB DOI
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Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
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Affinity Data
Ki: 16.3nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
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Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM21242
((2S,3S,4R,5R)-5-(6-{[(4-aminophenyl)methyl]amino}-...)
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Affinity Data
Ki: 21.5nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
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MCE
PC cid
PC sid
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In Depth
Details
Article
PubMed
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Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
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Affinity Data
Ki: 27.1nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
MCE
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
PDB
3D Structure (crystal)
Copy BDB DOI
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Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 42.3nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
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Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
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Affinity Data
Ki: 43nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 44.6nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 50.8nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 67.1nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
MCE
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50207816
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 91.9nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 129nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
KEGG
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50106543
(5-[6-(4-Amino-3-iodo-benzylamino)-purin-9-yl]-3,4-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 471nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
ChEBI
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 794nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 859nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 1.71E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
DrugBank
PDB
3D Structure (crystal)
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50008415
(2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 2.27E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50034171
(3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 2.52E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 3.96E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
KEGG
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A2a
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 7.78E+3nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
Target
Adenosine receptor A3
(Human)
UniversitÄT WÜRzburg
Curated by
PDSP K
i
Database
Ligand
BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >1.00E+4nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Copy reaction URL
3D Structure (crystal)
