BDBM50010059 2-{3-[4-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-piperazin-1-yl]-propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide::CHEMBL309408

SMILES: O=S1(=O)N=C(N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12

InChI Key: InChIKey=UVCMETSMBWPLJK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50010059   

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
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50010059 (2-{3-[4-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazo...) Show SMILES O=S1(=O)N=C(N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:3| Show InChI InChI=1S/C24H24N4O4S2/c29-33(30)21-10-2-1-8-19(21)24(25-33)27-16-14-26(15-17-27)12-5-13-28-20-9-3-6-18-7-4-11-22(23(18)20)34(28,31)32/h1-4,6-11H,5,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010059 (2-{3-[4-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazo...) Show SMILES O=S1(=O)N=C(N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:3| Show InChI InChI=1S/C24H24N4O4S2/c29-33(30)21-10-2-1-8-19(21)24(25-33)27-16-14-26(15-17-27)12-5-13-28-20-9-3-6-18-7-4-11-22(23(18)20)34(28,31)32/h1-4,6-11H,5,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]spiperone binding to dopamine receptor D2 in rat brain membranes (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50010059 (2-{3-[4-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazo...) Show SMILES O=S1(=O)N=C(N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc12 |t:3| Show InChI InChI=1S/C24H24N4O4S2/c29-33(30)21-10-2-1-8-19(21)24(25-33)27-16-14-26(15-17-27)12-5-13-28-20-9-3-6-18-7-4-11-22(23(18)20)34(28,31)32/h1-4,6-11H,5,12-17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description The concentration required to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat brain membranes was measured (in vitro)				J Med Chem 34: 2477-83 (1991) BindingDB Entry DOI: 10.7270/Q2R78FT1
					More data for this Ligand-Target Pair