BDBM50187688 CHEMBL3828650::US10913745, Example 1.11
SMILES: [H][C@]12CN(C[C@]1([H])CN(C2)C(=O)c1ccc(c(F)c1)S(N)(=O)=O)C(=O)OCc1ccc(OC(F)(F)F)cc1
InChI Key: InChIKey=PCBOWMZAEDDKNH-HOTGVXAUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ataxin-1 (Homo sapiens (Human)) | BDBM50187688 (CHEMBL3828650 | US10913745, Example 1.11) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. US Patent | Assay Description Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock so... | US Patent US10913745 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50187688 (CHEMBL3828650 | US10913745, Example 1.11) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde Curated by ChEMBL | Assay Description Inhibition of recombinant human C-terminal His-tagged ATX expressed in HEK293E cells using lysophosphatidylcholine as substrate preincubated with enz... | J Med Chem 59: 5604-21 (2016) BindingDB Entry DOI: 10.7270/Q2BZ681D | |||||||||||
More data for this Ligand-Target Pair |