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BDBM50146041 CHEMBL316341::[3-(3,4-Dichloro-phenyl)-6-methoxy-indan-1-yl]-diethyl-amine

SMILES: CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=FIJOQRLYVALYIU-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50146041   
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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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Article
PubMed
1.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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PubMed
26n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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140n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against dopamine DA transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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UniProtKB/TrEMBL

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1.01E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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Article
PubMed
1.31E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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UniProtKB/TrEMBL

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PubMed
>4.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair