BDBM50048817 2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-hexyl]-isoindole-1,3-dione::CHEMBL38409

SMILES: O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12

InChI Key: InChIKey=ZWXUIJOENHRFLU-UHFFFAOYSA-N

Data: 5 KI  2 IC50

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 7 hits for monomerid = 50048817   

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))	BDBM50048817 (2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...) Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	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]-raclopride from human D2L receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50048817 (2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...) Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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 human 5HT1A receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50048817 (2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...) Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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 recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50048817 (2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...) Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	114	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]-5-CT from human 5HT7b receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50048817 (2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...) Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	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]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048817 (2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...) Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-raclopride binding at Dopamine receptor D2 from rat striata.				J Med Chem 39: 149-57 (1996) Article DOI: 10.1021/jm9502201 BindingDB Entry DOI: 10.7270/Q2TQ60MN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50048817 (2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-he...) Show SMILES O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c30-24-19-9-3-4-10-20(19)25(31)29(24)14-8-2-1-7-13-27-15-17-28(18-16-27)23-21-11-5-6-12-22(21)32-26-23/h3-6,9-12H,1-2,7-8,13-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue.				J Med Chem 39: 149-57 (1996) Article DOI: 10.1021/jm9502201 BindingDB Entry DOI: 10.7270/Q2TQ60MN
					More data for this Ligand-Target Pair