BDBM50036926 2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-4H-isoquinoline-1,3-dione::CHEMBL83454

SMILES: O=C1Cc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=GVEWBUJRQFIULE-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 = 50036926   

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))	BDBM50036926 (2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H26N4O2S/c29-22-17-18-7-1-2-8-19(18)24(30)28(22)12-6-5-11-26-13-15-27(16-14-26)23-20-9-3-4-10-21(20)31-25-23/h1-4,7-10H,5-6,11-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin				J Med Chem 37: 2552-63 (1994) BindingDB Entry DOI: 10.7270/Q2G15ZWF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50036926 (2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1Cc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H26N4O2S/c29-22-17-18-7-1-2-8-19(18)24(30)28(22)12-6-5-11-26-13-15-27(16-14-26)23-20-9-3-4-10-21(20)31-25-23/h1-4,7-10H,5-6,11-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description In vitro binding affinity was measured by displacement of [3H]- raclopride from D2 receptor isolated from the striata of male Dawley rats				J Med Chem 37: 2552-63 (1994) BindingDB Entry DOI: 10.7270/Q2G15ZWF
					More data for this Ligand-Target Pair