BDBM309315 (3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(1-methyl-1H-1,2,3-triazol-4-yl)sulfonyl]pyrrolidin-3-amine::US9656955, Example 840
SMILES: Cn1cc(nn1)S(=O)(=O)N1C[C@H](Nc2ccc(F)c(c2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
InChI Key: InChIKey=NMIDNEFOBSJZBW-QAPCUYQASA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycine transporter 1 (Homo sapiens (Human)) | BDBM309315 ((3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluor...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s... | J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human)) | BDBM309315 ((3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG US Patent | Assay Description Radioligand binding assays using recombinant CHO cell membranes expressing human GlyT1: Radioligand binding to human GlyT1c transporter-expressing me... | US Patent US9656955 (2017) BindingDB Entry DOI: 10.7270/Q2Z60R48 | |||||||||||
More data for this Ligand-Target Pair |