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BDBM50230547 CHEMBL171518

SMILES: Clc1cc2C3CCCC(C3)Oc2c(c1)C(=O)NC1CN2CCC1CC2

InChI Key: InChIKey=ZIAMDRHEQRSMSY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230547   
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)		BDBM50230547
PNG
(CHEMBL171518)
Show SMILES Clc1cc2C3CCCC(C3)Oc2c(c1)C(=O)NC1CN2CCC1CC2 |(.29,-2.43,;1.62,-3.2,;1.62,-4.74,;2.96,-5.51,;2.95,-7.05,;2.92,-8.59,;4.27,-9.36,;5.61,-8.59,;5.61,-7.05,;4.28,-7.82,;5.62,-5.51,;4.29,-4.74,;4.29,-3.2,;2.95,-2.43,;5.62,-2.43,;5.61,-.89,;6.96,-3.18,;8.29,-2.41,;9.62,-3.18,;10.95,-2.41,;10.95,-.87,;9.62,-.1,;8.28,-.89,;9.04,-2.22,;10.37,-1.43,)|
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)
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 1.10n/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