BDBM50052453 (4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-ylsulfanyl)-acetic acid ethyl ester::CHEMBL105506

SMILES: CCOC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12

InChI Key: InChIKey=BKVBGLGJNNWYOQ-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50052453   

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
Arachidonate 5-lipoxygenase (Bos taurus)	BDBM50052453 ((4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yls...) Show SMILES CCOC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C18H16O5S/c1-2-23-14(21)9-24-18-10-5-3-7-12(19)15(10)17(22)16-11(18)6-4-8-13(16)20/h3-8,18-20H,2,9H2,1H3	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair
Arachidonate 12-lipoxygenase (Mus musculus)	BDBM50052453 ((4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yls...) Show SMILES CCOC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C18H16O5S/c1-2-23-14(21)9-24-18-10-5-3-7-12(19)15(10)17(22)16-11(18)6-4-8-13(16)20/h3-8,18-20H,2,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
					More data for this Ligand-Target Pair