BDBM50178655 2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide::CHEMBL198518

SMILES: CN1CC[C@@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1

InChI Key: InChIKey=PGEIIWZORYQALB-GXTWGEPZSA-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 = 50178655   

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))	BDBM50178655 (2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H21ClN2OS/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-20-10-15(17)19/h2-5,12,14H,6-10H2,1H3,(H2,17,19)/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]5HT uptake through SERT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50178655 (2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H21ClN2OS/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-20-10-15(17)19/h2-5,12,14H,6-10H2,1H3,(H2,17,19)/t12-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50178655 (2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3...) Show SMILES CN1CC[C@@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H21ClN2OS/c1-18-7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-20-10-15(17)19/h2-5,12,14H,6-10H2,1H3,(H2,17,19)/t12-,14+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Ability to inhibit [3H]NE uptake through NET in rat synaptosomes				J Med Chem 48: 7970-9 (2005) Article DOI: 10.1021/jm050694s BindingDB Entry DOI: 10.7270/Q2RF5TMT
					More data for this Ligand-Target Pair