BDBM50077836 7,7-Bis-(4-hydroxy-phenyl)-2,7-dihydro-1H-6-oxa-cyclopenta[cd]phenalen-5-one::CHEMBL67851
SMILES: Oc1ccc(cc1)C1(OC(=O)c2ccc3CCc4ccc1c2c34)c1ccc(O)cc1
InChI Key: InChIKey=KXXTXVWQWURROS-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) | BDBM50077836 (7,7-Bis-(4-hydroxy-phenyl)-2,7-dihydro-1H-6-oxa-cy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.50E+3 | 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 |