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BDBM50118263 5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol::CHEMBL132082

SMILES: COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1

InChI Key: InChIKey=LCWPWPFSABPKJM-UHFFFAOYSA-N

Data: 3 KI  4 IC50

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 7 hits for monomerid = 50118263   
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))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6|
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
NCI pathway
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PC sid
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PubMed
6n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6|
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
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23n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6|
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
PDB

KEGG

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PC cid
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1.03E+3n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6|
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.96E+3n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in HEK cells expressing human serotonin transporter (hSERT)


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6|
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
Reactome pathway
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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PubMed
n/an/a 1.46n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6|
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
NCI pathway
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KEGG

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PubMed
n/an/a 16.7n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in HEK cells expressing human dopamine transporter (hDAT)


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6|
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13.3n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from Dopamine Transporter of guinea pig striatal membrane


J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair