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BDBM50062154 CHEMBL3397080

SMILES: Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O

InChI Key: InChIKey=XTXUFBVLODXHFH-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50062154   
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))
BDBM50062154
PNG
(CHEMBL3397080)
Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:26|
Show InChI InChI=1S/C31H28F2N4O2/c32-23-8-6-22(7-9-23)29-28-5-1-2-15-36(28)31(39)37(30(29)38)16-4-3-14-35-17-12-21(13-18-35)26-20-34-27-11-10-24(33)19-25(26)27/h1-2,5-12,15,19-20,34H,3-4,13-14,16-18H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50062154
PNG
(CHEMBL3397080)
Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:26|
Show InChI InChI=1S/C31H28F2N4O2/c32-23-8-6-22(7-9-23)29-28-5-1-2-15-36(28)31(39)37(30(29)38)16-4-3-14-35-17-12-21(13-18-35)26-20-34-27-11-10-24(33)19-25(26)27/h1-2,5-12,15,19-20,34H,3-4,13-14,16-18H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair