BDBM50216045 2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1,2-benzisothiazole-3(2H)-one 1,1-dioxide::CHEMBL394110

SMILES: O=C1N(CCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12

InChI Key: InChIKey=TWQROZICHMTHNN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50216045   

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 (Homo sapiens (Human))	BDBM50216045 (2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1,2...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H25N3O3S/c25-21-19-10-4-5-11-20(19)28(26,27)24(21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Antagonist activity at human Dopamine receptor D2 isoform long expressed in HEK293 cells assessed as change in quinpirole-induced intracellular calci...				Bioorg Med Chem 15: 5811-8 (2007) Article DOI: 10.1016/j.bmc.2007.06.002 BindingDB Entry DOI: 10.7270/Q27M07MZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50216045 (2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1,2...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H25N3O3S/c25-21-19-10-4-5-11-20(19)28(26,27)24(21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human Dopamine receptor D2 isoform long expressed in HEK293 cells				Bioorg Med Chem 15: 5811-8 (2007) Article DOI: 10.1016/j.bmc.2007.06.002 BindingDB Entry DOI: 10.7270/Q27M07MZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50216045 (2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1,2...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H25N3O3S/c25-21-19-10-4-5-11-20(19)28(26,27)24(21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human Dopamine D3 receptor expressed in CHO cells				Bioorg Med Chem 15: 5811-8 (2007) Article DOI: 10.1016/j.bmc.2007.06.002 BindingDB Entry DOI: 10.7270/Q27M07MZ
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50216045 (2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1,2...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H25N3O3S/c25-21-19-10-4-5-11-20(19)28(26,27)24(21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	386	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Antagonist activity at human Dopamine D5 receptor in HEK293 cells assessed as change in SKF 38393-induced intracellular calcium response				Bioorg Med Chem 15: 5811-8 (2007) Article DOI: 10.1016/j.bmc.2007.06.002 BindingDB Entry DOI: 10.7270/Q27M07MZ
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50216045 (2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1,2...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C21H25N3O3S/c25-21-19-10-4-5-11-20(19)28(26,27)24(21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Displacement of [3H]SCH 23390 from human Dopamine D5 receptor expressed in HEK293				Bioorg Med Chem 15: 5811-8 (2007) Article DOI: 10.1016/j.bmc.2007.06.002 BindingDB Entry DOI: 10.7270/Q27M07MZ
					More data for this Ligand-Target Pair