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BDBM50000466 CHEMBL540040

SMILES: Cl.O=c1n(cc(-c2ccccc2)c2ccccc12)[C@@H]1CN2CCC1CC2

InChI Key: InChIKey=GXXJTEJSGLIRBA-ZMBIFBSDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000466   
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)		BDBM50000466
PNG
(CHEMBL540040)
Show SMILES Cl.O=c1n(cc(-c2ccccc2)c2ccccc12)[C@@H]1CN2CCC1CC2 |r,wU:18.19,(5.23,-1.09,;-1.33,2.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-2.65,-5.39,;-1.32,-6.16,;.02,-5.38,;.01,-3.84,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-4.01,1.54,;-3.97,3.16,;-5.36,3.98,;-5.9,2.54,;-4.84,1.88,;-5.41,.72,;-6.79,1.56,;-6.77,3.18,)|
Show InChI InChI=1S/C22H22N2O.ClH/c25-22-19-9-5-4-8-18(19)20(16-6-2-1-3-7-16)14-24(22)21-15-23-12-10-17(21)11-13-23;/h1-9,14,17,21H,10-13,15H2;1H/t21-;/m1./s1
PDB

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Similars
PubMed
 2.5n/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