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SMILES: COc1cccc(CC2CCN(CCc3ccccc3)CC2)c1

InChI Key: InChIKey=YMBKIBYHKRAVAC-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 = 50206769   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206769
PNG
(CHEMBL3966886)
Show SMILES COc1cccc(CC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H27NO/c1-23-21-9-5-8-20(17-21)16-19-11-14-22(15-12-19)13-10-18-6-3-2-4-7-18/h2-9,17,19H,10-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50206769
PNG
(CHEMBL3966886)
Show SMILES COc1cccc(CC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H27NO/c1-23-21-9-5-8-20(17-21)16-19-11-14-22(15-12-19)13-10-18-6-3-2-4-7-18/h2-9,17,19H,10-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
212n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair