BindingDB logo
myBDB logout

BDBM50000447 CHEMBL538027

SMILES: Cl.Cc1c(C(=O)NC2CN3CCC2CC3)c2ccccc2n1C

InChI Key: InChIKey=YXTUTNXHQOPSLC-UHFFFAOYSA-N

Data: 1 KI

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 = 50000447   
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)		BDBM50000447
PNG
(CHEMBL538027)
Show SMILES Cl.Cc1c(C(=O)NC2CN3CCC2CC3)c2ccccc2n1C |(8.86,2.42,;3.89,.03,;2.66,.02,;1.76,1.23,;2.24,2.7,;1.42,3.61,;3.75,3.01,;4.23,4.48,;3.12,5.65,;3.62,7.19,;4.98,6.47,;4.62,5.27,;5.81,4.78,;6.3,6.33,;5.2,7.53,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.23,;2.15,-2.4,)|
Show InChI InChI=1S/C18H23N3O.ClH/c1-12-17(14-5-3-4-6-16(14)20(12)2)18(22)19-15-11-21-9-7-13(15)8-10-21;/h3-6,13,15H,7-11H2,1-2H3,(H,19,22);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 40n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine

J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair