BDBM50288285 CHEMBL90314::N-(S)-1-Aza-bicyclo[2.2.2]oct-3-yl-5-chloro-3-iodo-2-methoxy-benzamide

SMILES: COc1c(I)cc(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2

InChI Key: InChIKey=CMTZEWBUSASFDG-CYBMUJFWSA-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 = 50288285   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 3A (RAT)	BDBM50288285 (CHEMBL90314 | N-(S)-1-Aza-bicyclo[2.2.2]oct-3-yl-5...) Show SMILES COc1c(I)cc(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:13.13,(16.29,-14.6,;16.29,-13.05,;14.96,-12.28,;13.61,-13.05,;13.61,-14.67,;12.28,-12.28,;12.28,-10.73,;10.87,-9.92,;13.61,-9.96,;14.96,-10.73,;16.29,-9.96,;16.29,-8.41,;17.64,-10.73,;18.97,-9.96,;20.29,-10.73,;21.62,-9.97,;21.63,-8.44,;20.3,-7.66,;18.95,-8.42,;19.71,-9.75,;21.04,-8.99,)| Show InChI InChI=1S/C15H18ClIN2O2/c1-21-14-11(6-10(16)7-12(14)17)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8H2,1H3,(H,18,20)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 2657-2662 (1996) Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP
					More data for this Ligand-Target Pair