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BDBM50094791 CHEMBL542500::[3-(3,4-Dichloro-phenyl)-4-methoxy-indan-1-yl]-methyl-amine; hydrochloride

SMILES: CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=QZDVQQONEBAAHC-WPZCJLIBSA-N

Data: 3 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 3 hits for monomerid = 50094791   
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


(Rattus norvegicus (rat))
BDBM50094791
PNG
(CHEMBL542500 | [3-(3,4-Dichloro-phenyl)-4-methoxy-...)
Show SMILES CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)17-11(15)4-3-5-16(17)21-2/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.70n/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 dopamine transporter (DAT) labeled with [125 I]RTI-55


J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50094791
PNG
(CHEMBL542500 | [3-(3,4-Dichloro-phenyl)-4-methoxy-...)
Show SMILES CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)17-11(15)4-3-5-16(17)21-2/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
27n/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 norepinephrine transporter (NET) labeled with [3H]nisoxetine


J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50094791
PNG
(CHEMBL542500 | [3-(3,4-Dichloro-phenyl)-4-methoxy-...)
Show SMILES CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)17-11(15)4-3-5-16(17)21-2/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
63n/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 serotonin transporter labeled with [125 I]RTI-55


J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair