BDBM50051286 CHEMBL544434::N-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-3-bromo-2,6-dihydroxy-benzamide; hydrochloride

SMILES: Oc1ccc(Br)c(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=YQHSWEOSWHNZLJ-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 = 50051286   

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))	BDBM50051286 (CHEMBL544434 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES Oc1ccc(Br)c(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H25BrN4O3S/c23-16-7-8-17(28)19(20(16)29)22(30)24-9-3-4-10-26-11-13-27(14-12-26)21-15-5-1-2-6-18(15)31-25-21/h1-2,5-8,28-29H,3-4,9-14H2,(H,24,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051286 (CHEMBL544434 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES Oc1ccc(Br)c(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H25BrN4O3S/c23-16-7-8-17(28)19(20(16)29)22(30)24-9-3-4-10-26-11-13-27(14-12-26)21-15-5-1-2-6-18(15)31-25-21/h1-2,5-8,28-29H,3-4,9-14H2,(H,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2				J Med Chem 39: 1172-88 (1996) Article DOI: 10.1021/jm950551d BindingDB Entry DOI: 10.7270/Q2SQ912Q
					More data for this Ligand-Target Pair