BindingDB logo
myBDB logout

BDBM50455959 CHEMBL37257

SMILES: OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2

InChI Key: InChIKey=XMJNOPKNBOLPNH-WLHGVMLRSA-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 = 50455959   
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)		BDBM50455959
PNG
(CHEMBL37257)
Show SMILES OC(=O)\C=C\C(O)=O.Cc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2 |(10.67,-3.2,;9.16,-3.45,;8.19,-2.27,;8.39,-4.78,;6.86,-4.78,;6.1,-6.1,;6.86,-7.43,;4.57,-6.1,;-8.34,-2.24,;-8.34,-3.77,;-9.64,-4.54,;-9.64,-6.09,;-8.34,-6.85,;-7,-6.09,;-7,-4.54,;-5.69,-3.77,;-5.69,-2.24,;-4.35,-4.52,;-3.05,-3.76,;-3.05,-2.23,;-1.71,-4.5,;-.38,-3.74,;1,-4.54,;2.39,-3.74,;2.39,-2.11,;1,-1.32,;-.38,-2.11,;1.31,-2.53,;.17,-3.44,)|
Show InChI InChI=1S/C16H21N3O2.C4H4O4/c1-11-4-2-3-5-13(11)15(20)18-16(21)17-14-10-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h2-5,12,14H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 251n/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