BDBM50156052 2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-1-piperidin-1-yl-ethanone::CHEMBL191330

SMILES: CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1

InChI Key: InChIKey=VXDYZTDYUKVXNJ-UHFFFAOYSA-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 = 50156052   

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)	BDBM50156052 (2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...) Show SMILES CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand				J Med Chem 47: 5821-4 (2004) Article DOI: 10.1021/jm040117o BindingDB Entry DOI: 10.7270/Q2Q81DVF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50156052 (2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...) Show SMILES CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of high affinity uptake by the serotonin transporter (5-HT) from rat synaptosomal nerve endings by using [3H]5-HT as radioligand				J Med Chem 47: 5821-4 (2004) Article DOI: 10.1021/jm040117o BindingDB Entry DOI: 10.7270/Q2Q81DVF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50156052 (2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmeth...) Show SMILES CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H29ClN2OS/c1-22-12-9-19(16-5-7-18(21)8-6-16)17(13-22)14-25-15-20(24)23-10-3-2-4-11-23/h5-8,17,19H,2-4,9-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Acenta Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand				J Med Chem 47: 5821-4 (2004) Article DOI: 10.1021/jm040117o BindingDB Entry DOI: 10.7270/Q2Q81DVF
					More data for this Ligand-Target Pair