BDBM50178665 2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl)methylsulfanyl]-N,N-dimethyl-acetamide::CHEMBL424849

SMILES: CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1

InChI Key: InChIKey=OHRYFAGGXYRPNT-GOEBONIOSA-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 = 50178665   

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))	BDBM50178665 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	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))	BDBM50178665 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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
Transporter (Rattus norvegicus)	BDBM50178665 (2-[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C17H25ClN2OS/c1-19(2)17(21)12-22-11-14-10-20(3)9-8-16(14)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12H2,1-3H3/t14-,16+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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