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BDBM50230550 CHEMBL174020

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

InChI Key: InChIKey=ZIAMDRHEQRSMSY-JCKWVBRZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230550   
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)		BDBM50230550
PNG
(CHEMBL174020)
Show SMILES [H][C@@]12CCC[C@@]([H])(C1)c1cc(Cl)cc(C(=O)N[C@]3([H])CN4CCC3CC4)c1O2 |wU:17.18,wD:5.5,1.0,(7.89,-6.13,;7.49,-4.65,;8.97,-4.24,;9.49,-2.71,;8.41,-1.62,;6.93,-2.03,;6.53,-.54,;7.97,-3.18,;5.43,-2.35,;4.41,-1.2,;2.9,-1.52,;1.87,-.37,;2.41,-2.97,;3.43,-4.13,;2.94,-5.58,;3.97,-6.74,;1.43,-5.88,;-.11,-5.81,;-.11,-7.35,;-1.03,-7.05,;-2.56,-6.88,;-2.4,-5.74,;-.88,-5.93,;-.71,-4.41,;-2.25,-4.23,;-3.16,-5.46,;4.95,-3.82,;5.97,-4.96,)|
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+/m0/s1
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PubMed
 0.690n/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