BindingDB logo
myBDB logout

BDBM50230541 CHEMBL173338

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

InChI Key: InChIKey=LDYMIBZOCSHLBG-ZTFGCOKTSA-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 = 50230541   
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)		BDBM50230541
PNG
(CHEMBL173338)
Show SMILES [H][C@@]12CCCC[C@]1([H])c1cc(Cl)cc(C(=O)N[C@]3([H])CN4CCC3CC4)c1O2 |wU:17.18,wD:6.7,1.0,(7.76,-5.43,;7.44,-3.92,;8.95,-4.25,;9.98,-3.08,;9.49,-1.63,;7.97,-1.31,;6.95,-2.47,;6.65,-.96,;5.43,-2.47,;4.41,-1.31,;2.9,-1.64,;1.87,-.49,;2.41,-3.08,;3.43,-4.24,;2.94,-5.69,;3.97,-6.85,;1.43,-5.99,;-.11,-5.92,;-.11,-7.46,;-1.02,-7.16,;-2.55,-7,;-3.16,-5.57,;-2.25,-4.34,;-.71,-4.52,;-.88,-6.04,;-2.4,-5.85,;4.95,-3.94,;6.2,-4.84,)|
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 2.90n/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