BDBM50178661 2-[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl)methylsulfanyl]-N-isopropyl-acetamide::CHEMBL200671

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

InChI Key: InChIKey=GPNABXAHBDYHFE-WBVHZDCISA-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 = 50178661   

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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50178661 (2-[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50178661 (2-[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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))	BDBM50178661 (2-[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-...) Show SMILES CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C18H27ClN2OS/c1-13(2)20-18(22)12-23-11-15-10-21(3)9-8-17(15)14-4-6-16(19)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)/t15-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	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