BindingDB logo
myBDB logout

null

SMILES: CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C

InChI Key: InChIKey=MZQKUSFOVTYSMR-UHFFFAOYSA-N

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 2 hits for monomerid = 50041306   
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))
BDBM50041306
PNG
(1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
Show InChI InChI=1S/C17H22FNO/c1-3-16(20)17-14(11-4-6-12(18)7-5-11)10-13-8-9-15(17)19(13)2/h4-7,13-15,17H,3,8-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
630n/an/an/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.


J Med Chem 37: 1262-8 (1994)


BindingDB Entry DOI: 10.7270/Q2TH8NBM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50041306
PNG
(1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
Show InChI InChI=1S/C17H22FNO/c1-3-16(20)17-14(11-4-6-12(18)7-5-11)10-13-8-9-15(17)19(13)2/h4-7,13-15,17H,3,8-10H2,1-2H3
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



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.


J Med Chem 37: 1262-8 (1994)


BindingDB Entry DOI: 10.7270/Q2TH8NBM
More data for this
Ligand-Target Pair