BDBM50343977 (2R,3R)-2,3-dihydroxy-4-(isoindolin-2-yl)-4-oxo-N-((5-((2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)methyl)thiophen-2-yl)methyl)butanamide::CHEMBL1779610
SMILES: O[C@H]([C@@H](O)C(=O)N1Cc2ccccc2C1)C(=O)NCc1ccc(Cn2c(nc3ccccc23)C(F)(F)F)s1
InChI Key: InChIKey=WUYPHGYWSOTGQB-FGZHOGPDSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM50343977 ((2R,3R)-2,3-dihydroxy-4-(isoindolin-2-yl)-4-oxo-N-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of TACE | Bioorg Med Chem Lett 20: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK | |||||||||||
More data for this Ligand-Target Pair |