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BDBM50455975 CHEMBL36552

SMILES: OC(=O)\C=C/C(O)=O.COc1ccc(cc1)C(=O)NC(=O)NC1CN2CCC1CC2

InChI Key: InChIKey=ANIOXWZUEFRMJD-BTJKTKAUSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50455975   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)		BDBM50455975
PNG
(CHEMBL36552)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccc(cc1)C(=O)NC(=O)NC1CN2CCC1CC2 |(16,-13.62,;16.77,-12.28,;18.3,-12.28,;16,-10.97,;14.48,-10.97,;13.71,-12.28,;14.48,-13.62,;12.18,-12.28,;-5.13,-14.44,;-3.81,-15.21,;-2.47,-14.44,;-1.17,-15.21,;.17,-14.44,;.17,-12.9,;-1.17,-12.14,;-2.47,-12.9,;1.48,-12.12,;1.48,-10.59,;2.81,-12.88,;4.12,-12.12,;4.12,-10.59,;5.46,-12.87,;6.79,-12.11,;8.17,-12.9,;9.56,-12.11,;7.34,-11.8,;8.47,-10.9,;6.79,-10.48,;8.17,-9.69,;9.56,-10.48,)|
Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-13-4-2-12(3-5-13)15(20)18-16(21)17-14-10-19-8-6-11(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1-
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a>316n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.

J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair