BDBM50216051 2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)butyl)-1, 2-benzisothiazole-3(2H)-one 1,1-dioxide::CHEMBL238916

SMILES: FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1

InChI Key: InChIKey=BFNRVMJMTPNWFK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50216051   

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))	BDBM50216051 (2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)but...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C22H24F3N3O3S/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)10-3-4-11-28-21(29)19-8-1-2-9-20(19)32(28,30)31/h1-2,5-9,16H,3-4,10-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cracow University of Technology Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat brain cerebral cortex incubated for 30 mins by liquid scintillation spectrometry				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126667
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50216051 (2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)but...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C22H24F3N3O3S/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)10-3-4-11-28-21(29)19-8-1-2-9-20(19)32(28,30)31/h1-2,5-9,16H,3-4,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50216051 (2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)but...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C22H24F3N3O3S/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)10-3-4-11-28-21(29)19-8-1-2-9-20(19)32(28,30)31/h1-2,5-9,16H,3-4,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	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(1B) dopamine receptor (Homo sapiens (Human))	BDBM50216051 (2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)but...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C22H24F3N3O3S/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)10-3-4-11-28-21(29)19-8-1-2-9-20(19)32(28,30)31/h1-2,5-9,16H,3-4,10-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76E+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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50216051 (2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)but...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C22H24F3N3O3S/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)10-3-4-11-28-21(29)19-8-1-2-9-20(19)32(28,30)31/h1-2,5-9,16H,3-4,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cracow University of Technology Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar rat brain frontal cortex incubated for 30 mins by radioligand binding assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126667
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50216051 (2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)but...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C22H24F3N3O3S/c23-22(24,25)17-6-5-7-18(16-17)27-14-12-26(13-15-27)10-3-4-11-28-21(29)19-8-1-2-9-20(19)32(28,30)31/h1-2,5-9,16H,3-4,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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