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Compile Data Set for Download or QSAR
Found
23
Enz. Inhib. hit(s) with all data for entry = 5135
Target
Adenosine receptor A3
(Homo sapiens (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
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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: 1nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
Patents
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In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
PDB
3D Structure (crystal)
Target
Adenosine receptor A3
(Homo sapiens (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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copy InChI
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
Purchase
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A3
(Homo sapiens (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: 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
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A3
(Homo sapiens (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
Purchase
MCE
PC cid
PC sid
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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: 27.1nM
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
PDB
3D Structure (crystal)
Target
Adenosine receptor A3
(Homo sapiens (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
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A3
(Homo sapiens (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: 43nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A3
(Homo sapiens (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
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A3
(Homo sapiens (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
MCE
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A3
(Homo sapiens (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
CHEMBL
MCE
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A3
(Homo sapiens (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
MCE
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
KEGG
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
DrugBank
PDB
3D Structure (crystal)
Target
Adenosine receptor A2a
(Homo sapiens (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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
PC cid
PC sid
PDB
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A3
(Homo sapiens (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
CHEMBL
KEGG
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A2a
(Homo sapiens (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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed
Target
Adenosine receptor A3
(Homo sapiens (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
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
BindingDB Entry DOI:
10.7270/Q20Z71T3
PubMed