BDBM50051283 2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-4-fluoro-benzamide; hydrochloride::CHEMBL544910

SMILES: Nc1cc(F)ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=MSRZTJMHKRJLST-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 = 50051283   

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))	BDBM50051283 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1cc(F)ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-16-7-8-17(19(24)15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-18-5-1-2-6-20(18)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	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))	BDBM50051283 (2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...) Show SMILES Nc1cc(F)ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H26FN5OS/c23-16-7-8-17(19(24)15-16)22(29)25-9-3-4-10-27-11-13-28(14-12-27)21-18-5-1-2-6-20(18)30-26-21/h1-2,5-8,15H,3-4,9-14,24H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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