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BDBM50230540 CHEMBL173873

SMILES: [H][C@]12CCC[C@]([H])(C1)c1cc(Cl)cc(C(=O)N[C@]3([H])CN4CCC3CC4)c1O2

InChI Key: InChIKey=ZIAMDRHEQRSMSY-QIIPPGSGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230540   
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)		BDBM50230540
PNG
(CHEMBL173873)
Show SMILES [H][C@]12CCC[C@]([H])(C1)c1cc(Cl)cc(C(=O)N[C@]3([H])CN4CCC3CC4)c1O2 |wU:17.18,5.5,1.0,(7.89,-6.25,;7.49,-4.76,;8.97,-4.36,;9.49,-2.83,;8.41,-1.73,;6.93,-2.14,;6.53,-.65,;7.97,-3.29,;5.43,-2.47,;4.41,-1.31,;2.9,-1.64,;1.87,-.49,;2.41,-3.08,;3.43,-4.24,;2.94,-5.7,;3.97,-6.85,;1.43,-6,;-.11,-5.93,;-.11,-7.47,;-1.03,-7.16,;-2.56,-7,;-2.4,-5.86,;-.88,-6.04,;-.71,-4.52,;-2.25,-4.34,;-3.16,-5.58,;4.95,-3.94,;5.97,-5.08,)|
Show InChI InChI=1S/C20H25ClN2O2/c21-14-9-16-13-2-1-3-15(8-13)25-19(16)17(10-14)20(24)22-18-11-23-6-4-12(18)5-7-23/h9-10,12-13,15,18H,1-8,11H2,(H,22,24)/t13-,15+,18-/m1/s1
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PubMed
 0.300n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of radioligand [3H]GR-65630.

J Med Chem 35: 903-11 (1992)


BindingDB Entry DOI: 10.7270/Q20004BR
More data for this
Ligand-Target Pair