BDBM50119883 1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide::CHEMBL104800

SMILES: Clc1ccc(CN2CCN(CCN3c4ccccc4CS3(=O)=O)CC2)cc1

InChI Key: InChIKey=JLTHLGOLANXTDG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50119883   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50119883 (1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1...) Show SMILES Clc1ccc(CN2CCN(CCN3c4ccccc4CS3(=O)=O)CC2)cc1 Show InChI InChI=1S/C20H24ClN3O2S/c21-19-7-5-17(6-8-19)15-23-11-9-22(10-12-23)13-14-24-20-4-2-1-3-18(20)16-27(24,25)26/h1-8H,9-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand				Bioorg Med Chem Lett 12: 3105-9 (2002) BindingDB Entry DOI: 10.7270/Q2JM2908
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50119883 (1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1...) Show SMILES Clc1ccc(CN2CCN(CCN3c4ccccc4CS3(=O)=O)CC2)cc1 Show InChI InChI=1S/C20H24ClN3O2S/c21-19-7-5-17(6-8-19)15-23-11-9-22(10-12-23)13-14-24-20-4-2-1-3-18(20)16-27(24,25)26/h1-8H,9-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radi...				Bioorg Med Chem Lett 12: 3105-9 (2002) BindingDB Entry DOI: 10.7270/Q2JM2908
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50119883 (1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1...) Show SMILES Clc1ccc(CN2CCN(CCN3c4ccccc4CS3(=O)=O)CC2)cc1 Show InChI InChI=1S/C20H24ClN3O2S/c21-19-7-5-17(6-8-19)15-23-11-9-22(10-12-23)13-14-24-20-4-2-1-3-18(20)16-27(24,25)26/h1-8H,9-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Binding affinity towards human dopamine D2 receptor, using [3H]-YM-09151 as a radioligand				Bioorg Med Chem Lett 12: 3105-9 (2002) BindingDB Entry DOI: 10.7270/Q2JM2908
					More data for this Ligand-Target Pair