BDBM50119933 1-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide::CHEMBL104380

SMILES: Clc1ccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)cc1

InChI Key: InChIKey=AYLLMRKBBYQUGB-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 = 50119933   

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))	BDBM50119933 (1-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-...) Show SMILES Clc1ccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)cc1 Show InChI InChI=1S/C21H26ClN3O2S/c22-20-8-6-18(7-9-20)16-24-14-12-23(13-15-24)10-3-11-25-21-5-2-1-4-19(21)17-28(25,26)27/h1-2,4-9H,3,10-17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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))	BDBM50119933 (1-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-...) Show SMILES Clc1ccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)cc1 Show InChI InChI=1S/C21H26ClN3O2S/c22-20-8-6-18(7-9-20)16-24-14-12-23(13-15-24)10-3-11-25-21-5-2-1-4-19(21)17-28(25,26)27/h1-2,4-9H,3,10-17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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))	BDBM50119933 (1-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-...) Show SMILES Clc1ccc(CN2CCN(CCCN3c4ccccc4CS3(=O)=O)CC2)cc1 Show InChI InChI=1S/C21H26ClN3O2S/c22-20-8-6-18(7-9-20)16-24-14-12-23(13-15-24)10-3-11-25-21-5-2-1-4-19(21)17-28(25,26)27/h1-2,4-9H,3,10-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	979	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