BDBM50047094 2-{2-[4-(4-Fluoro-1H-indol-3-ylmethyl)-piperidin-1-yl]-ethyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide::CHEMBL275354

SMILES: Fc1cccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c12

InChI Key: InChIKey=JQNPXPMENUSCSJ-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50047094   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047094 (2-{2-[4-(4-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1cccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c12 Show InChI InChI=1S/C26H26FN3O2S/c27-21-6-3-7-22-25(21)20(17-28-22)16-18-10-12-29(13-11-18)14-15-30-23-8-1-4-19-5-2-9-24(26(19)23)33(30,31)32/h1-9,17-18,28H,10-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50047094 (2-{2-[4-(4-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1cccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c12 Show InChI InChI=1S/C26H26FN3O2S/c27-21-6-3-7-22-25(21)20(17-28-22)16-18-10-12-29(13-11-18)14-15-30-23-8-1-4-19-5-2-9-24(26(19)23)33(30,31)32/h1-9,17-18,28H,10-16H2	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 Curated by ChEMBL					Assay Description Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]-spiperone in rat striatal membranes				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
					More data for this Ligand-Target Pair