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SMILES: CCOC(=O)C1C2CCC(CC1c1ccc3n(C)ccc3c1)N2C

InChI Key: InChIKey=OQJPSRDMUHEIGX-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50096914   
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))
BDBM50096914
PNG
(8-Methyl-3-(1-methyl-1H-indol-5-yl)-8-aza-bicyclo[...)
Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc3n(C)ccc3c1)N2C |THB:12:11:22:7.8,3:5:22:7.8|
Show InChI InChI=1S/C20H26N2O2/c1-4-24-20(23)19-16(12-15-6-8-18(19)22(15)3)13-5-7-17-14(11-13)9-10-21(17)2/h5,7,9-11,15-16,18-19H,4,6,8,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.80n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane


Bioorg Med Chem Lett 11: 487-9 (2001)


BindingDB Entry DOI: 10.7270/Q2M907ZR
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50096914
PNG
(8-Methyl-3-(1-methyl-1H-indol-5-yl)-8-aza-bicyclo[...)
Show SMILES CCOC(=O)C1C2CCC(CC1c1ccc3n(C)ccc3c1)N2C |THB:12:11:22:7.8,3:5:22:7.8|
Show InChI InChI=1S/C20H26N2O2/c1-4-24-20(23)19-16(12-15-6-8-18(19)22(15)3)13-5-7-17-14(11-13)9-10-21(17)2/h5,7,9-11,15-16,18-19H,4,6,8,12H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.75n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [125I]-RTI-55 from Dopamine transporter of rat striatal membrane


Bioorg Med Chem Lett 11: 487-9 (2001)


BindingDB Entry DOI: 10.7270/Q2M907ZR
More data for this
Ligand-Target Pair