BDBM50455971 CHEMBL289115

SMILES: OC(=O)\C=C/C(O)=O.CN1C2CCC1CC(C2)NC(=O)NC(=O)c1ccccc1OCC1CC1

InChI Key: InChIKey=WSQXJOSWCXAIIL-BTJKTKAUSA-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 = 50455971   

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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50455971 (CHEMBL289115) Show SMILES OC(=O)\C=C/C(O)=O.CN1C2CCC1CC(C2)NC(=O)NC(=O)c1ccccc1OCC1CC1 |THB:17:15:9:11.12| Show InChI InChI=1S/C20H27N3O3.C4H4O4/c1-23-15-8-9-16(23)11-14(10-15)21-20(25)22-19(24)17-4-2-3-5-18(17)26-12-13-6-7-13;5-3(6)1-2-4(7)8/h2-5,13-16H,6-12H2,1H3,(H2,21,22,24,25);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/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/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