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BDBM50230544 CHEMBL353631

SMILES: [H][C@@]12CCCC[C@]1([H])c1cc(Cl)cc(C(=O)N[C@@]3([H])CN4CCC3CC4)c1O2

InChI Key: InChIKey=LDYMIBZOCSHLBG-FHLIZLRMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230544   
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)		BDBM50230544
PNG
(CHEMBL353631)
Show SMILES [H][C@@]12CCCC[C@]1([H])c1cc(Cl)cc(C(=O)N[C@@]3([H])CN4CCC3CC4)c1O2 |wD:17.18,1.0,6.7,(13.27,-12.33,;12.82,-10.86,;14.36,-11.05,;15.27,-9.81,;14.67,-8.39,;13.14,-8.22,;12.22,-9.44,;11.77,-7.97,;10.68,-9.58,;9.58,-8.51,;8.1,-8.95,;6.98,-7.9,;7.73,-10.44,;8.85,-11.52,;8.48,-13.01,;7,-13.45,;9.6,-14.08,;9.23,-15.57,;10.7,-15.13,;10.35,-16.63,;10,-18.12,;8.88,-17.84,;9.25,-16.35,;7.76,-16,;7.41,-17.51,;8.52,-18.57,;10.34,-11.09,;11.66,-11.88,)|
Show InChI InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)/t14-,17+,18-/m1/s1
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PC sid
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Similars
PubMed
 8.80n/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