BDBM50077840 3-Hydroxy-3-(2-propoxy-phenyl)-3H-benzo[de]isochromen-1-one::CHEMBL66576

SMILES: CCCOc1ccccc1C1(O)OC(=O)c2cccc3cccc1c23

InChI Key: InChIKey=FZSUSXIIKBESPF-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077840   

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)	BDBM50077840 (3-Hydroxy-3-(2-propoxy-phenyl)-3H-benzo[de]isochro...) Show SMILES CCCOc1ccccc1C1(O)OC(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C21H18O4/c1-2-13-24-18-12-4-3-10-16(18)21(23)17-11-6-8-14-7-5-9-15(19(14)17)20(22)25-21/h3-12,23H,2,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.96E+5	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