BDBM99928 US8501729, 23

SMILES: O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]1CN2CCC1CC2

InChI Key: InChIKey=WHLXDRXTKZLGFK-OAHLLOKOSA-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 = 99928   

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 (Homo sapiens (Human))	BDBM99928 (US8501729, 23) Show SMILES O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(-2.66,-.09,;-1.17,-.49,;-.45,.87,;1.04,1.16,;2.28,.16,;2.33,-1.46,;3.53,-2.43,;2.98,-3.87,;1.44,-3.79,;.35,-4.87,;-1.14,-4.48,;-1.54,-2.99,;-.45,-1.9,;1.04,-2.3,;-1.22,2.21,;-2.76,2.21,;-3.53,3.54,;-2.76,4.87,;-1.22,4.87,;-.45,3.54,;-1.8,2.82,;-2.19,4.31,)| Show InChI InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US8501729 (2013) BindingDB Entry DOI: 10.7270/Q2JW8CHV
					More data for this Ligand-Target Pair