BDBM50019368 1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-4,4-dimethyl-piperidine-2,6-dione::CHEMBL332147

SMILES: CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)C1

InChI Key: InChIKey=NVMPJRLPVHHXRD-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 = 50019368   

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))	BDBM50019368 (1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)C1 Show InChI InChI=1S/C22H30N4O2S/c1-22(2)15-19(27)26(20(28)16-22)10-6-5-9-24-11-13-25(14-12-24)21-17-7-3-4-8-18(17)29-23-21/h3-4,7-8H,5-6,9-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	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))	BDBM50019368 (1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)C1 Show InChI InChI=1S/C22H30N4O2S/c1-22(2)15-19(27)26(20(28)16-22)10-6-5-9-24-11-13-25(14-12-24)21-17-7-3-4-8-18(17)29-23-21/h3-4,7-8H,5-6,9-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	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