BDBM50077837 3-(3-Chloro-4-hydroxy-phenyl)-3-hydroxy-6-nitro-3H-benzo[de]isochromen-1-one::CHEMBL308223
SMILES: Oc1ccc(cc1Cl)C1(O)OC(=O)c2cccc3c(ccc1c23)[N+]([O-])=O
InChI Key: InChIKey=WYNHKJNPYFAGID-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) | BDBM50077837 (3-(3-Chloro-4-hydroxy-phenyl)-3-hydroxy-6-nitro-3H...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 250 | 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 |