BDBM50263357 CHEMBL478434::trans-7'-Methoxy-3'-oxo-3'H-spiro[cyclohexane-1,1'-isobenzofuran]-4-carboxylic acid methyl-(2-piperidin-1-yl-ethyl)-amide

SMILES: COc1cccc2C(=O)O[C@]3(CC[C@@H](CC3)C(=O)N(C)CCN3CCCCC3)c12

InChI Key: InChIKey=HTAUIWGHWGTTSA-QBNMFFNISA-N

Data: 1 IC50

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 = 50263357   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50263357 (CHEMBL478434 | trans-7'-Methoxy-3'-oxo-3'H-spiro[c...) Show SMILES COc1cccc2C(=O)O[C@]3(CC[C@@H](CC3)C(=O)N(C)CCN3CCCCC3)c12 |r,wU:10.9,wD:13.16,(14.73,-6.83,;15.42,-8.21,;14.58,-9.5,;13.03,-9.41,;12.19,-10.71,;12.89,-12.08,;14.42,-12.17,;15.39,-13.37,;14.99,-14.86,;16.84,-12.82,;16.76,-11.28,;16.76,-9.74,;18.09,-8.96,;19.42,-9.74,;19.42,-11.28,;18.09,-12.04,;20.76,-8.97,;20.76,-7.43,;22.09,-9.75,;23.42,-8.98,;22.08,-11.29,;23.41,-12.06,;23.41,-13.6,;22.07,-14.36,;22.06,-15.89,;23.39,-16.67,;24.73,-15.91,;24.74,-14.36,;15.27,-10.87,)| Show InChI InChI=1S/C23H32N2O4/c1-24(15-16-25-13-4-3-5-14-25)21(26)17-9-11-23(12-10-17)20-18(22(27)29-23)7-6-8-19(20)28-2/h6-8,17H,3-5,9-16H2,1-2H3/t17-,23-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 18: 5101-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.125 BindingDB Entry DOI: 10.7270/Q2PC3268
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