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Compile Data Set for Download or QSAR
maximum 50k data
Found
134
Enz. Inhib. hit(s) with all data for entry = 5221
Target
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 0.190nM
More data for this Ligand-Target Pair
Target Info
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Article
PubMed
Copy BDB DOI
Target
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 0.290nM
More data for this Ligand-Target Pair
Target Info
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PDB
3D Structure (crystal)
Copy BDB DOI
Target
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 1.80nM
More data for this Ligand-Target Pair
Target Info
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Article
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PDB
3D Structure (crystal)
Copy BDB DOI
Target
Norepinephrine transporter
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82437
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 2.70nM
More data for this Ligand-Target Pair
Target Info
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Target
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Copy SMILES
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Affinity Data
Ki: 3.80nM
More data for this Ligand-Target Pair
Target Info
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ChEBI
CHEMBL
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PDB
3D Structure (crystal)
Copy BDB DOI
Target
Histamine H1 receptor
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82548
(CAS_897-15-4 | Dothiepin | NSC_3155)
Copy SMILES
Copy InChI
Affinity Data
Ki: 4nM
More data for this Ligand-Target Pair
Target Info
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Target
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 6.80nM
More data for this Ligand-Target Pair
Target Info
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Copy BDB DOI
Target
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 8nM
More data for this Ligand-Target Pair
Target Info
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Details
Article
PubMed
Copy BDB DOI
Target
Histamine H1 receptor
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 8.30nM
More data for this Ligand-Target Pair
Target Info
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Article
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Copy BDB DOI
Target
Muscarinic acetylcholine receptor M2
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 8.90nM
More data for this Ligand-Target Pair
Target Info
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Ligand Info
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PubMed
Copy BDB DOI
Target
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 10nM
More data for this Ligand-Target Pair
Target Info
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Copy BDB DOI
Target
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 11nM
More data for this Ligand-Target Pair
Target Info
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Reactome pathway
KEGG
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Article
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Copy BDB DOI
Target
Alpha-2C adrenergic receptor
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82548
(CAS_897-15-4 | Dothiepin | NSC_3155)
Copy SMILES
Copy InChI
Affinity Data
Ki: 12nM
More data for this Ligand-Target Pair
Target Info
PDB
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UniProtKB/SwissProt
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ChEBI
PC cid
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Article
PubMed
Copy BDB DOI
Target
Norepinephrine transporter
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 24nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
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MCE
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MMDB
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Article
PubMed
Copy BDB DOI
Target
Muscarinic acetylcholine receptor M2
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82548
(CAS_897-15-4 | Dothiepin | NSC_3155)
Copy SMILES
Copy InChI
Affinity Data
Ki: 26nM
More data for this Ligand-Target Pair
Target Info
PDB
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KEGG
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Ligand Info
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ChEBI
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 42nM
More data for this Ligand-Target Pair
Target Info
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Reactome pathway
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ChEBI
CHEMBL
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Article
PubMed
Copy BDB DOI
Target
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 48nM
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 68nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
Patents
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 69nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
Patents
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Norepinephrine transporter
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82548
(CAS_897-15-4 | Dothiepin | NSC_3155)
Copy SMILES
Copy InChI
Affinity Data
Ki: 70nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
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ChEBI
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 72nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82548
(CAS_897-15-4 | Dothiepin | NSC_3155)
Copy SMILES
Copy InChI
Affinity Data
Ki: 78nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
PC cid
PC sid
Patents
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
D(1A) dopamine receptor
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 81nM
More data for this Ligand-Target Pair
Target Info
PDB
UniProtKB/SwissProt
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
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MCE
KEGG
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Norepinephrine transporter
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 81nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Norepinephrine transporter
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 110nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
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In Depth
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Article
PubMed
Copy BDB DOI
Target
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82548
(CAS_897-15-4 | Dothiepin | NSC_3155)
Copy SMILES
Copy InChI
Affinity Data
Ki: 152nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
PC cid
PC sid
Patents
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Norepinephrine transporter
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 160nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
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CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 160nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
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MCE
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PC sid
PDB
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
D(2) dopamine receptor
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 180nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
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PC sid
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82071
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 210nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
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DrugBank
MCE
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PC sid
PDB
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Muscarinic acetylcholine receptor M2
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 210nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Muscarinic acetylcholine receptor M2
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82437
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 300nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
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ChEBI
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Alpha-2C adrenergic receptor
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 340nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
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PC sid
PDB
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Histamine H1 receptor
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 350nM
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
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ChEBI
CHEMBL
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PDB
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Histamine H1 receptor
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 370nM
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
MCE
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PC cid
PC sid
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In Depth
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Article
PubMed
Copy BDB DOI
Target
Norepinephrine transporter
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 370nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
Patents
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82548
(CAS_897-15-4 | Dothiepin | NSC_3155)
Copy SMILES
Copy InChI
Affinity Data
Ki: 419nM
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 470nM
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
Patents
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
D(1A) dopamine receptor
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82437
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
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Affinity Data
Ki: 500nM
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Target
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
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Affinity Data
Ki: 570nM
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Target
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82437
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
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Affinity Data
Ki: 620nM
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Target
Norepinephrine transporter
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
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Affinity Data
Ki: 620nM
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Target
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
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Affinity Data
Ki: 630nM
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Target
Norepinephrine transporter
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82071
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
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Affinity Data
Ki: 640nM
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Target
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
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Affinity Data
Ki: 710nM
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Target
D(2) dopamine receptor
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
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Affinity Data
Ki: 850nM
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Target
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82437
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
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Affinity Data
Ki: 880nM
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Target
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat))
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM50069447
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
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Affinity Data
Ki: 1.00E+3nM
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Target
Histamine H1 receptor
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82437
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
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Affinity Data
Ki: 1.00E+3nM
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Target
Muscarinic acetylcholine receptor M2
(RAT)
TBA
Curated by
PDSP K
i
Database
Ligand
BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
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Affinity Data
Ki: 1.10E+3nM
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