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BDBM50211010 CHEMBL232674::methyl 2-(3-aminophenyl)cyclopent-1-enecarboxylate

SMILES: COC(=O)C1=C(CCC1)c1cccc(N)c1

InChI Key: InChIKey=SADMOVBJKBFJNN-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50211010   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50211010
PNG
(CHEMBL232674 | methyl 2-(3-aminophenyl)cyclopent-1...)
Show SMILES COC(=O)C1=C(CCC1)c1cccc(N)c1 |t:4|
Show InChI InChI=1S/C13H15NO2/c1-16-13(15)12-7-3-6-11(12)9-4-2-5-10(14)8-9/h2,4-5,8H,3,6-7,14H2,1H3
NCI pathway
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PC sid
UniChem
Article
PubMed
1.21E+5n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake in human DAT expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50211010
PNG
(CHEMBL232674 | methyl 2-(3-aminophenyl)cyclopent-1...)
Show SMILES COC(=O)C1=C(CCC1)c1cccc(N)c1 |t:4|
Show InChI InChI=1S/C13H15NO2/c1-16-13(15)12-7-3-6-11(12)9-4-2-5-10(14)8-9/h2,4-5,8H,3,6-7,14H2,1H3
Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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AffyNet 
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PC sid
UniChem
Article
PubMed
2.47E+5n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake in human NET expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50211010
PNG
(CHEMBL232674 | methyl 2-(3-aminophenyl)cyclopent-1...)
Show SMILES COC(=O)C1=C(CCC1)c1cccc(N)c1 |t:4|
Show InChI InChI=1S/C13H15NO2/c1-16-13(15)12-7-3-6-11(12)9-4-2-5-10(14)8-9/h2,4-5,8H,3,6-7,14H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.75E+5n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50211010
PNG
(CHEMBL232674 | methyl 2-(3-aminophenyl)cyclopent-1...)
Show SMILES COC(=O)C1=C(CCC1)c1cccc(N)c1 |t:4|
Show InChI InChI=1S/C13H15NO2/c1-16-13(15)12-7-3-6-11(12)9-4-2-5-10(14)8-9/h2,4-5,8H,3,6-7,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.32E+6n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50211010
PNG
(CHEMBL232674 | methyl 2-(3-aminophenyl)cyclopent-1...)
Show SMILES COC(=O)C1=C(CCC1)c1cccc(N)c1 |t:4|
Show InChI InChI=1S/C13H15NO2/c1-16-13(15)12-7-3-6-11(12)9-4-2-5-10(14)8-9/h2,4-5,8H,3,6-7,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.95E+6n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50211010
PNG
(CHEMBL232674 | methyl 2-(3-aminophenyl)cyclopent-1...)
Show SMILES COC(=O)C1=C(CCC1)c1cccc(N)c1 |t:4|
Show InChI InChI=1S/C13H15NO2/c1-16-13(15)12-7-3-6-11(12)9-4-2-5-10(14)8-9/h2,4-5,8H,3,6-7,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90E+6n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Inhibition of [3H]SER uptake in human SERT expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair