BDBM50019358 8-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione::CHEMBL123653

SMILES: O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1noc2ccccc12

InChI Key: InChIKey=GTBBDTAARHMEGQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50019358   

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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019358 (8-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-buty...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C24H32N4O3/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019358 (8-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-buty...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C24H32N4O3/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for rat striatal Dopamine receptor D2 labeled with [3H]spiperone				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair