BDBM50044547 CHEMBL3314090
SMILES: C[C@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](C)C(=O)N\N=C\c1ccc(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c(c1)[N+]([O-])=O)C(=O)N\N=C\c1ccc(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c(c1)[N+]([O-])=O
InChI Key: InChIKey=ZRSFTHKIHUNASR-FEHCPUDCSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glutathione S-transferase Mu 1 (Mus musculus) | BDBM50044547 (CHEMBL3314090) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Chimie des Substances Naturelles Curated by ChEMBL | Assay Description Inhibition of mouse GSTM1-1 | Bioorg Med Chem 22: 4474-89 (2014) Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0 | |||||||||||
More data for this Ligand-Target Pair |