BDBM50309683 (2S,6S,2R)-2-[6-(2-p-Fluoro-benzenesulfonyloxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone hydrochloride::CHEMBL597298

SMILES: CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1

InChI Key: InChIKey=MKNXKYLTVRZKQE-QQNWGBJXSA-N

Data: 3 KI

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 = 50309683   

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
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50309683 ((2S,6S,2R)-2-[6-(2-p-Fluoro-benzenesulfonyloxy-2-p...) Show SMILES CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H30FNO4S/c1-30-24(19-27(31)21-9-4-2-5-10-21)13-8-14-25(30)20-28(22-11-6-3-7-12-22)34-35(32,33)26-17-15-23(29)16-18-26/h2-7,9-12,15-18,24-25,28H,8,13-14,19-20H2,1H3/t24-,25+,28+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3HDTBZ from VMAT2 in rat whole brain vesicles by liquid scintillation spectrophotometry				Bioorg Med Chem 18: 640-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.002 BindingDB Entry DOI: 10.7270/Q2XS5WB2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50309683 ((2S,6S,2R)-2-[6-(2-p-Fluoro-benzenesulfonyloxy-2-p...) Show SMILES CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H30FNO4S/c1-30-24(19-27(31)21-9-4-2-5-10-21)13-8-14-25(30)20-28(22-11-6-3-7-12-22)34-35(32,33)26-17-15-23(29)16-18-26/h2-7,9-12,15-18,24-25,28H,8,13-14,19-20H2,1H3/t24-,25+,28+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at SERT in rat brain hippocampal synaptosomes by liquid scintillation spectrophotometry				Bioorg Med Chem 18: 640-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.002 BindingDB Entry DOI: 10.7270/Q2XS5WB2
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50309683 ((2S,6S,2R)-2-[6-(2-p-Fluoro-benzenesulfonyloxy-2-p...) Show SMILES CN1[C@H](C[C@H](OS(=O)(=O)c2ccc(F)cc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H30FNO4S/c1-30-24(19-27(31)21-9-4-2-5-10-21)13-8-14-25(30)20-28(22-11-6-3-7-12-22)34-35(32,33)26-17-15-23(29)16-18-26/h2-7,9-12,15-18,24-25,28H,8,13-14,19-20H2,1H3/t24-,25+,28+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at DAT in rat brain striatal synaptosomes by liquid scintillation spectrophotometry				Bioorg Med Chem 18: 640-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.002 BindingDB Entry DOI: 10.7270/Q2XS5WB2
					More data for this Ligand-Target Pair