BDBM50077839 3-Hydroxy-3-(2-hydroxy-3-isopropyl-6-methyl-phenyl)-3H-benzo[de]isochromen-1-one::CHEMBL69792
SMILES: CC(C)c1ccc(C)c(c1O)C1(O)OC(=O)c2cccc3cccc1c23
InChI Key: InChIKey=ZTRRJLIOZOJWKS-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate Synthase (TS) (Escherichia coli) | BDBM50077839 (3-Hydroxy-3-(2-hydroxy-3-isopropyl-6-methyl-phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase. | J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5 | |||||||||||
More data for this Ligand-Target Pair |