BDBM50064557 CHEMBL59878::[3-(4-Benzo[d]isothiazol-3-yl-piperazin-1-ylmethyl)-phenyl]-piperidin-1-yl-methanone

SMILES: O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2nsc3ccccc23)c1

InChI Key: InChIKey=NBQHGNXQTOFSDN-UHFFFAOYSA-N

Data: 2 KI

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 = 50064557   

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))	BDBM50064557 (CHEMBL59878 | [3-(4-Benzo[d]isothiazol-3-yl-pipera...) Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2nsc3ccccc23)c1 Show InChI InChI=1S/C24H28N4OS/c29-24(28-11-4-1-5-12-28)20-8-6-7-19(17-20)18-26-13-15-27(16-14-26)23-21-9-2-3-10-22(21)30-25-23/h2-3,6-10,17H,1,4-5,11-16,18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity with 5-hydroxytryptamine 1A receptor using membranes prepared from rat cerebral cortex				J Med Chem 41: 1997-2009 (1998) Article DOI: 10.1021/jm970164z BindingDB Entry DOI: 10.7270/Q2KK9CG0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50064557 (CHEMBL59878 | [3-(4-Benzo[d]isothiazol-3-yl-pipera...) Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2nsc3ccccc23)c1 Show InChI InChI=1S/C24H28N4OS/c29-24(28-11-4-1-5-12-28)20-8-6-7-19(17-20)18-26-13-15-27(16-14-26)23-21-9-2-3-10-22(21)30-25-23/h2-3,6-10,17H,1,4-5,11-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity with Dopamine receptor D2 using membranes prepared from rat striatum				J Med Chem 41: 1997-2009 (1998) Article DOI: 10.1021/jm970164z BindingDB Entry DOI: 10.7270/Q2KK9CG0
					More data for this Ligand-Target Pair