BDBM50048816 2-[(E)-4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-but-2-enyl]-isoindole-1,3-dione::CHEMBL290953

SMILES: O=C1N(C\C=C\CN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12

InChI Key: InChIKey=KYIHOKVBWAILAC-AATRIKPKSA-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 = 50048816   

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 (Rattus norvegicus (rat))	BDBM50048816 (2-[(E)-4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl...) Show SMILES O=C1N(C\C=C\CN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H22N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h1-10H,11-16H2/b6-5+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue.				J Med Chem 39: 149-57 (1996) Article DOI: 10.1021/jm9502201 BindingDB Entry DOI: 10.7270/Q2TQ60MN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048816 (2-[(E)-4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl...) Show SMILES O=C1N(C\C=C\CN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H22N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h1-10H,11-16H2/b6-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-raclopride binding at Dopamine receptor D2 from rat striata.				J Med Chem 39: 149-57 (1996) Article DOI: 10.1021/jm9502201 BindingDB Entry DOI: 10.7270/Q2TQ60MN
					More data for this Ligand-Target Pair