BDBM36135 4-toluic acid::4-tolylic acid
SMILES: Cc1ccc(cc1)C([O-])=O
InChI Key: InChIKey=LPNBBFKOUUSUDB-UHFFFAOYSA-M
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thiopurine S-methyltransferase (Homo sapiens (Human)) | BDBM36135 (4-toluic acid | 4-tolylic acid) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.88E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of purified human kidney thiopurine methyltransferase (TPMT) | J Med Chem 29: 354-8 (1986) BindingDB Entry DOI: 10.7270/Q2445NPZ | |||||||||||
More data for this Ligand-Target Pair |