BDBM50010030 4-{4-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]isothiazol-2-yl)-propyl]-piperazin-1-yl}-benzoic acid ethyl ester::CHEMBL311550

SMILES: CCOC(=O)c1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1

InChI Key: InChIKey=CYNNLBPFJCKOKG-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 = 50010030   

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 (Rattus norvegicus (rat))	BDBM50010030 (4-{4-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...) Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C26H29N3O4S/c1-2-33-26(30)21-10-12-22(13-11-21)28-18-16-27(17-19-28)14-5-15-29-23-8-3-6-20-7-4-9-24(25(20)23)34(29,31)32/h3-4,6-13H,2,5,14-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50010030 (4-{4-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...) Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C26H29N3O4S/c1-2-33-26(30)21-10-12-22(13-11-21)28-18-16-27(17-19-28)14-5-15-29-23-8-3-6-20-7-4-9-24(25(20)23)34(29,31)32/h3-4,6-13H,2,5,14-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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]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
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50010030 (4-{4-[3-(1,1-Dioxo-1H-1lambda*6*-naphtho[1,8-cd]is...) Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 Show InChI InChI=1S/C26H29N3O4S/c1-2-33-26(30)21-10-12-22(13-11-21)28-18-16-27(17-19-28)14-5-15-29-23-8-3-6-20-7-4-9-24(25(20)23)34(29,31)32/h3-4,6-13H,2,5,14-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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