BDBM50010043 2-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide::CHEMBL310105

SMILES: O=S1(=O)N(CCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23

InChI Key: InChIKey=GGWHOXVBCOIHCB-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 = 50010043   

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))	BDBM50010043 (2-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]...) Show SMILES O=S1(=O)N(CCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:9| Show InChI InChI=1S/C23H22N2O2S/c26-28(27)22-11-5-9-20-8-4-10-21(23(20)22)25(28)17-16-24-14-12-19(13-15-24)18-6-2-1-3-7-18/h1-12H,13-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>100	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))	BDBM50010043 (2-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]...) Show SMILES O=S1(=O)N(CCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:9| Show InChI InChI=1S/C23H22N2O2S/c26-28(27)22-11-5-9-20-8-4-10-21(23(20)22)25(28)17-16-24-14-12-19(13-15-24)18-6-2-1-3-7-18/h1-12H,13-17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	98	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...)	BDBM50010043 (2-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]...) Show SMILES O=S1(=O)N(CCN2CCC(=CC2)c2ccccc2)c2cccc3cccc1c23 |c:9| Show InChI InChI=1S/C23H22N2O2S/c26-28(27)22-11-5-9-20-8-4-10-21(23(20)22)25(28)17-16-24-14-12-19(13-15-24)18-6-2-1-3-7-18/h1-12H,13-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	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