BDBM50047109 2-{3-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1-yl]-propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide::CHEMBL276920

SMILES: Fc1ccc2[nH]cc(CC3CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1

InChI Key: InChIKey=XCHLEGMBTYTUAM-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 = 50047109   

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))	BDBM50047109 (2-{3-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C27H28FN3O2S/c28-22-8-9-24-23(17-22)21(18-29-24)16-19-10-14-30(15-11-19)12-3-13-31-25-6-1-4-20-5-2-7-26(27(20)25)34(31,32)33/h1-2,4-9,17-19,29H,3,10-16H2	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50047109 (2-{3-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 Show InChI InChI=1S/C27H28FN3O2S/c28-22-8-9-24-23(17-22)21(18-29-24)16-19-10-14-30(15-11-19)12-3-13-31-25-6-1-4-20-5-2-7-26(27(20)25)34(31,32)33/h1-2,4-9,17-19,29H,3,10-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	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