BDBM50329739 CHEMBL1271570::endo-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-((S)-3-methylmorpholino)benzo[d]oxazole-4-carboxamide

SMILES: C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C

InChI Key: InChIKey=RBULLMHVZYBTHL-USXIJHARSA-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 = 50329739   

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))	BDBM50329739 (CHEMBL1271570 | endo-N-(8-methyl-8-azabicyclo[3.2....) Show SMILES C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:28:27:22.23.24:26.19.20| Show InChI InChI=1S/C22H30N4O3/c1-14-13-28-10-9-26(14)22-24-20-18(7-4-8-19(20)29-22)21(27)23-15-11-16-5-3-6-17(12-15)25(16)2/h4,7-8,14-17H,3,5-6,9-13H2,1-2H3,(H,23,27)/t14-,16+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.9	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