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SMILES: O=C(N[C@@H]1CN2CCC1CC2)c1c2CCCCCn2c2ccccc12

InChI Key: InChIKey=FBWNSMDVIFCOCM-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000448   
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/3B


(Rattus norvegicus-RAT)		BDBM50000448
PNG
(CHEMBL315518)
Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1c2CCCCCn2c2ccccc12 |wD:3.2,(4.44,-3.97,;5.07,-5.37,;6.6,-5.54,;7.5,-4.29,;6.87,-2.89,;7.78,-1.64,;9.31,-1.8,;9.92,-3.22,;9.03,-4.46,;9.31,-3.18,;7.77,-3.18,;4.16,-6.63,;4.65,-8.08,;5.96,-8.33,;6.61,-9.71,;5.83,-11.11,;4.27,-11.34,;3.2,-10.27,;3.39,-9.01,;2.15,-8.1,;.66,-8.41,;-.37,-7.3,;.08,-5.82,;1.59,-5.49,;2.62,-6.63,)|
Show InChI InChI=1S/C21H27N3O/c25-21(22-17-14-23-12-9-15(17)10-13-23)20-16-6-3-4-7-18(16)24-11-5-1-2-8-19(20)24/h3-4,6-7,15,17H,1-2,5,8-14H2,(H,22,25)/t17-/m1/s1
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PubMed
 5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine

J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair