BDBM50077847 3-(4-Hydroxy-naphthalen-1-yl)-3-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one::CHEMBL63528

SMILES: Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)c2ccccc12

InChI Key: InChIKey=XHDFWUKZNPYNNE-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 = 50077847   

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)	BDBM50077847 (3-(4-Hydroxy-naphthalen-1-yl)-3-(4-hydroxy-phenyl)...) Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)c2ccccc12 Show InChI InChI=1S/C24H16O4/c25-16-11-9-15(10-12-16)24(20-8-4-3-7-19(20)23(27)28-24)21-13-14-22(26)18-6-2-1-5-17(18)21/h1-14,25-26H	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