BDBM87574 MLS001082585::N-[2-(1-cyclohexenyl)ethyl]-4-methoxy-3-[(1-propan-2-yl-4-piperidinyl)oxy]benzamide::N-[2-(cyclohexen-1-yl)ethyl]-3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-benzamide::N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-benzamide::N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide::SMR000655389::cid_24793028
SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCCC1=CCCCC1
InChI Key: InChIKey=JGPWISHQPLDAIF-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
High-affinity choline transporter (Homo sapiens (Human)) | BDBM87574 (MLS001082585 | N-[2-(1-cyclohexenyl)ethyl]-4-metho...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center Curated by ChEMBL | Assay Description Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells by membrane depolarization assay | Bioorg Med Chem Lett 25: 1757-60 (2015) Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
High-affinity choline transporter (Homo sapiens (Human)) | BDBM87574 (MLS001082585 | N-[2-(1-cyclohexenyl)ethyl]-4-metho...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins Ion Channel Center Curated by PubChem BioAssay | Assay Description Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GT5KR1 | |||||||||||
More data for this Ligand-Target Pair |