BDBM50052471 10-(2,3-Dihydroxy-propylsulfanyl)-1,8-dihydroxy-10H-anthracen-9-one::CHEMBL443801

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

InChI Key: InChIKey=OSPVGSCAHAGHKQ-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 = 50052471   

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 12-lipoxygenase (Mus musculus)	BDBM50052471 (10-(2,3-Dihydroxy-propylsulfanyl)-1,8-dihydroxy-10...) Show SMILES OCC(O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C17H16O5S/c18-7-9(19)8-23-17-10-3-1-5-12(20)14(10)16(22)15-11(17)4-2-6-13(15)21/h1-6,9,17-21H,7-8H2	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
Arachidonate 5-lipoxygenase (Bos taurus)	BDBM50052471 (10-(2,3-Dihydroxy-propylsulfanyl)-1,8-dihydroxy-10...) Show SMILES OCC(O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C17H16O5S/c18-7-9(19)8-23-17-10-3-1-5-12(20)14(10)16(22)15-11(17)4-2-6-13(15)21/h1-6,9,17-21H,7-8H2	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	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