BDBM50329756 (S)-2-(dimethylamino)-N-(quinuclidin-3-yl)benzo[d]oxazole-4-carboxamide::CHEMBL1272176

SMILES: CN(C)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2

InChI Key: InChIKey=AJOIVAKMJVSBOV-CYBMUJFWSA-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 = 50329756   

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))	BDBM50329756 ((S)-2-(dimethylamino)-N-(quinuclidin-3-yl)benzo[d]...) Show SMILES CN(C)c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:15.16,TLB:14:15:19.18:21.22,(4.16,-5.27,;3.39,-3.94,;4.15,-2.6,;1.85,-3.94,;.94,-2.69,;-.54,-3.17,;-1.87,-2.4,;-3.2,-3.17,;-3.2,-4.72,;-1.87,-5.49,;-.53,-4.72,;.94,-5.19,;-1.88,-.86,;-3.21,-.1,;-.54,-.09,;-.55,1.45,;-.74,2.83,;.73,3.48,;2.08,2.87,;2.35,1.47,;.99,2.11,;1.24,4.01,;.8,5.11,)| Show InChI InChI=1S/C17H22N4O2/c1-20(2)17-19-15-12(4-3-5-14(15)23-17)16(22)18-13-10-21-8-6-11(13)7-9-21/h3-5,11,13H,6-10H2,1-2H3,(H,18,22)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair