null

SMILES: Clc1ccc(cc1)-n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23

InChI Key: InChIKey=NXSYJBVNYHBHHG-FQEVSTJZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 99924   

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))	BDBM99924 (US8501729, 19) Show SMILES Clc1ccc(cc1)-n1[nH]c2cn([C@H]3CN4CCC3CC4)c(=O)c3cccc1c23 |r,wU:12.12,(2.52,-7.83,;2.12,-6.35,;.63,-5.95,;.23,-4.46,;1.32,-3.37,;2.81,-3.77,;3.21,-5.26,;.92,-1.88,;1.82,-.49,;.79,.9,;.79,2.44,;-.54,3.21,;-.54,4.75,;-1.87,5.52,;-1.87,7.06,;-.54,7.83,;.79,7.06,;.79,5.52,;-.81,5.52,;-.04,6.8,;-1.87,2.44,;-3.21,3.21,;-1.87,.9,;-3.21,.13,;-3.21,-1.41,;-1.87,-2.18,;-.54,-1.41,;-.54,.13,)| Show InChI InChI=1S/C22H21ClN4O/c23-15-4-6-16(7-5-15)27-19-3-1-2-17-21(19)18(24-27)12-26(22(17)28)20-13-25-10-8-14(20)9-11-25/h1-7,12,14,20,24H,8-11,13H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	68	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