BDBM50051273 CHEMBL554954::N-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-2-hydrazino-benzamide; hydrochloride

SMILES: NNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=PVFOAQFPFMILBP-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 = 50051273   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051273 (CHEMBL554954 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES NNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H28N6OS/c23-25-19-9-3-1-7-17(19)22(29)24-11-5-6-12-27-13-15-28(16-14-27)21-18-8-2-4-10-20(18)30-26-21/h1-4,7-10,25H,5-6,11-16,23H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50051273 (CHEMBL554954 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES NNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C22H28N6OS/c23-25-19-9-3-1-7-17(19)22(29)24-11-5-6-12-27-13-15-28(16-14-27)21-18-8-2-4-10-20(18)30-26-21/h1-4,7-10,25H,5-6,11-16,23H2,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	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