BDBM50156031 Acetic acid 2-[4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-ethyl ester::CHEMBL193244
SMILES: CN1CCC(C(CS(=O)CCOC(C)=O)C1)c1ccc(Cl)cc1
InChI Key: InChIKey=ZUHFHBFMBYNBLT-UHFFFAOYSA-N
Data: 3 KI
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 dopamine transporter (Rattus norvegicus (rat)) | BDBM50156031 (Acetic acid 2-[4-(4-chloro-phenyl)-1-methyl-piperi...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9 | 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 | |||||||||||||
Norepinephrine Monoamine transporters (Rattus norvegicus) | BDBM50156031 (Acetic acid 2-[4-(4-chloro-phenyl)-1-methyl-piperi...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 29 | 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)) | BDBM50156031 (Acetic acid 2-[4-(4-chloro-phenyl)-1-methyl-piperi...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 87 | 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 |