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BDBM50021222 CHEMBL53837::[3-(3,4-Dichloro-phenyl)-6-methoxy-indan-1-yl]-dimethyl-amine

SMILES: COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=WJBOEJSDTQYWJJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50021222   
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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50021222
PNG
(CHEMBL53837 | [3-(3,4-Dichloro-phenyl)-6-methoxy-i...)
Show SMILES COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO/c1-21(2)18-10-14(11-4-7-16(19)17(20)8-11)13-6-5-12(22-3)9-15(13)18/h4-9,14,18H,10H2,1-3H3
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UniProtKB/TrEMBL

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PC sid
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PubMed
n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021222
PNG
(CHEMBL53837 | [3-(3,4-Dichloro-phenyl)-6-methoxy-i...)
Show SMILES COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO/c1-21(2)18-10-14(11-4-7-16(19)17(20)8-11)13-6-5-12(22-3)9-15(13)18/h4-9,14,18H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021222
PNG
(CHEMBL53837 | [3-(3,4-Dichloro-phenyl)-6-methoxy-i...)
Show SMILES COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO/c1-21(2)18-10-14(11-4-7-16(19)17(20)8-11)13-6-5-12(22-3)9-15(13)18/h4-9,14,18H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50021222
PNG
(CHEMBL53837 | [3-(3,4-Dichloro-phenyl)-6-methoxy-i...)
Show SMILES COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO/c1-21(2)18-10-14(11-4-7-16(19)17(20)8-11)13-6-5-12(22-3)9-15(13)18/h4-9,14,18H,10H2,1-3H3
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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PubMed
n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021222
PNG
(CHEMBL53837 | [3-(3,4-Dichloro-phenyl)-6-methoxy-i...)
Show SMILES COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO/c1-21(2)18-10-14(11-4-7-16(19)17(20)8-11)13-6-5-12(22-3)9-15(13)18/h4-9,14,18H,10H2,1-3H3
Reactome pathway
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UniProtKB/SwissProt

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PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021222
PNG
(CHEMBL53837 | [3-(3,4-Dichloro-phenyl)-6-methoxy-i...)
Show SMILES COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO/c1-21(2)18-10-14(11-4-7-16(19)17(20)8-11)13-6-5-12(22-3)9-15(13)18/h4-9,14,18H,10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair