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BDBM50455977 CHEMBL39426

SMILES: OC(=O)\C=C\C(O)=O.COc1cccc(OC)c1C(=O)NC(=O)NC1CN2CCC1CC2

InChI Key: InChIKey=IINNXZPXJQDQIH-WLHGVMLRSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50455977   
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)		BDBM50455977
PNG
(CHEMBL39426)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cccc(OC)c1C(=O)NC(=O)NC1CN2CCC1CC2 |(12.65,-4.91,;11.12,-5.17,;10.15,-3.98,;10.36,-6.5,;8.82,-6.5,;8.05,-7.83,;8.82,-9.17,;6.51,-7.83,;-6.84,-2.63,;-5.51,-3.37,;-5.5,-4.91,;-6.82,-5.68,;-6.82,-7.24,;-5.5,-8.01,;-4.16,-7.24,;-2.84,-8.01,;-2.84,-9.54,;-4.16,-5.68,;-2.84,-4.91,;-2.85,-3.37,;-1.51,-5.67,;-.18,-4.9,;-.18,-3.36,;1.16,-5.65,;2.48,-4.88,;3.88,-5.68,;5.26,-4.88,;3.04,-4.58,;4.17,-3.66,;2.48,-3.25,;3.88,-2.44,;5.26,-3.25,)|
Show InChI InChI=1S/C17H23N3O4.C4H4O4/c1-23-13-4-3-5-14(24-2)15(13)16(21)19-17(22)18-12-10-20-8-6-11(12)7-9-20;5-3(6)1-2-4(7)8/h3-5,11-12H,6-10H2,1-2H3,(H2,18,19,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB

UniProtKB/SwissProt

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CHEMBL
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