BDBM50322439 4-[4-(2-Cyclohexyloxy-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-3-fluoro-benzonitrile::CHEMBL1173764
SMILES: CS(=O)(=O)c1ccc(OC2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
InChI Key: InChIKey=PPNMPBDJTSOMCR-UHFFFAOYSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycine transporter 1 (Homo sapiens (Human)) | BDBM50322439 (4-[4-(2-Cyclohexyloxy-5-methanesulfonyl-benzoyl)-p...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting | J Med Chem 53: 4603-14 (2010) Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycine transporter 2 (Homo sapiens (Human)) | BDBM50322439 (4-[4-(2-Cyclohexyloxy-5-methanesulfonyl-benzoyl)-p...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting | J Med Chem 53: 4603-14 (2010) Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT | |||||||||||
More data for this Ligand-Target Pair |