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BDBM50365250 CHEMBL1958323

SMILES: C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)[nH]nc1C

InChI Key: InChIKey=OVNSLCAMMBQZNV-CQSZACIVSA-N

Data: 2 KI

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 = 50365250   
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 3A


(Homo sapiens (Human))
BDBM50365250
PNG
(CHEMBL1958323)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)[nH]nc1C |r|
Show InChI InChI=1S/C19H25N3O2/c1-14-5-3-10-22(14)11-4-12-24-17-8-6-16(7-9-17)18-13-19(23)21-20-15(18)2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1
PDB

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PC cid
PC sid
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Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50365250
PNG
(CHEMBL1958323)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(=O)[nH]nc1C |r|
Show InChI InChI=1S/C19H25N3O2/c1-14-5-3-10-22(14)11-4-12-24-17-8-6-16(7-9-17)18-13-19(23)21-20-15(18)2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair