BindingDB logo
myBDB logout

BDBM50455976 CHEMBL544476

SMILES: Cl.Clc1cc(Cl)cc(c1)C(=O)NC(=O)NC1CN2CCC1CC2

InChI Key: InChIKey=XMVORBFDCHHQRC-UHFFFAOYSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50455976   
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)		BDBM50455976
PNG
(CHEMBL544476)
Show SMILES Cl.Clc1cc(Cl)cc(c1)C(=O)NC(=O)NC1CN2CCC1CC2 |THB:14:15:19.18:21.22,(9.87,,;2.37,6.39,;2.6,4.87,;4.03,4.31,;4.26,2.78,;5.69,2.22,;3.06,1.82,;1.62,2.39,;1.39,3.91,;.42,1.43,;-1.02,1.99,;.65,-.09,;-.56,-1.05,;-1.99,-.49,;-.33,-2.58,;-1.53,-3.54,;-1.25,-4.96,;-2.65,-4.31,;-4.21,-4.98,;-4.41,-3.57,;-2.91,-2.92,;-2.84,-1.24,;-2.39,-2.37,)|
Show InChI InChI=1S/C15H17Cl2N3O2.ClH/c16-11-5-10(6-12(17)7-11)14(21)19-15(22)18-13-8-20-3-1-9(13)2-4-20;/h5-7,9,13H,1-4,8H2,(H2,18,19,21,22);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 200n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.

J Med Chem 35: 1515-20 (1992)


BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair