BDBM50142640 8-{3-Hydroxy-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-8-aza-spiro[4.5]decane-7,9-dione::CHEMBL47497

SMILES: COc1ccccc1N1CCN(CC(O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1

InChI Key: InChIKey=ZEELOWGOZGVPIS-UHFFFAOYSA-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 = 50142640   

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 1A (Homo sapiens (Human))	BDBM50142640 (8-{3-Hydroxy-4-[4-(2-methoxy-phenyl)-piperazin-1-y...) Show SMILES COc1ccccc1N1CCN(CC(O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C24H35N3O4/c1-31-21-7-3-2-6-20(21)26-14-12-25(13-15-26)18-19(28)8-11-27-22(29)16-24(17-23(27)30)9-4-5-10-24/h2-3,6-7,19,28H,4-5,8-18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
					More data for this Ligand-Target Pair