BDBM50054709 CHEMBL141494::N-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-isonicotinamide

SMILES: O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccncc1

InChI Key: InChIKey=LEBIUZBOHXBTBZ-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 = 50054709   

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 (Mus musculus (Mouse))	BDBM50054709 (CHEMBL141494 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccncc1 Show InChI InChI=1S/C21H25N5OS/c27-21(17-7-10-22-11-8-17)23-9-3-4-12-25-13-15-26(16-14-25)20-18-5-1-2-6-19(18)28-24-20/h1-2,5-8,10-11H,3-4,9,12-16H2,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Dopamine receptor D2 from mice				J Med Chem 39: 4692-703 (1997) Article DOI: 10.1021/jm9603375 BindingDB Entry DOI: 10.7270/Q2VT1R6T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse))	BDBM50054709 (CHEMBL141494 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...) Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccncc1 Show InChI InChI=1S/C21H25N5OS/c27-21(17-7-10-22-11-8-17)23-9-3-4-12-25-13-15-26(16-14-25)20-18-5-1-2-6-19(18)28-24-20/h1-2,5-8,10-11H,3-4,9,12-16H2,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.				J Med Chem 39: 4692-703 (1997) Article DOI: 10.1021/jm9603375 BindingDB Entry DOI: 10.7270/Q2VT1R6T
					More data for this Ligand-Target Pair