BDBM50010060 2-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide::CHEMBL312043

SMILES: O=S1(=O)N(CCCN2CCN(CC2)c2ncccn2)c2cccc3cccc1c23

InChI Key: InChIKey=YTJUGWSTNZLRMM-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 = 50010060   

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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50010060 (2-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-2H-...) Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2ncccn2)c2cccc3cccc1c23 Show InChI InChI=1S/C21H23N5O2S/c27-29(28)19-8-2-6-17-5-1-7-18(20(17)19)26(29)12-4-11-24-13-15-25(16-14-24)21-22-9-3-10-23-21/h1-3,5-10H,4,11-16H2	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...)	BDBM50010060 (2-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-2H-...) Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2ncccn2)c2cccc3cccc1c23 Show InChI InChI=1S/C21H23N5O2S/c27-29(28)19-8-2-6-17-5-1-7-18(20(17)19)26(29)12-4-11-24-13-15-25(16-14-24)21-22-9-3-10-23-21/h1-3,5-10H,4,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	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))	BDBM50010060 (2-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-2H-...) Show SMILES O=S1(=O)N(CCCN2CCN(CC2)c2ncccn2)c2cccc3cccc1c23 Show InChI InChI=1S/C21H23N5O2S/c27-29(28)19-8-2-6-17-5-1-7-18(20(17)19)26(29)12-4-11-24-13-15-25(16-14-24)21-22-9-3-10-23-21/h1-3,5-10H,4,11-16H2	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