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SMILES: COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O

InChI Key: InChIKey=GPXRAYFROADIDJ-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 = 50516845   
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))
BDBM50516845
PNG
(CHEMBL4533362)
Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
Show InChI InChI=1S/C32H37FN4O3/c1-40-25-12-9-22(10-13-25)30-29-8-2-3-17-36(29)32(39)37(31(30)38)18-5-4-15-35-16-6-7-23(21-35)27-20-34-28-14-11-24(33)19-26(27)28/h9-14,19-20,23,34H,2-8,15-18,21H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50516845
PNG
(CHEMBL4533362)
Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
Show InChI InChI=1S/C32H37FN4O3/c1-40-25-12-9-22(10-13-25)30-29-8-2-3-17-36(29)32(39)37(31(30)38)18-5-4-15-35-16-6-7-23(21-35)27-20-34-28-14-11-24(33)19-26(27)28/h9-14,19-20,23,34H,2-8,15-18,21H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
146n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
More data for this
Ligand-Target Pair