BDBM50014209 2-Ethylsulfanyl-5-hydroxy-hexa-2,4-dienedioic acid diethyl ester::CHEMBL316996

SMILES: CCOC(=O)C(SCC)C=CC(=O)C(=O)OCC

InChI Key: InChIKey=DTTSMAGHVQOITF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50014209   

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 (Rattus norvegicus)	BDBM50014209 (2-Ethylsulfanyl-5-hydroxy-hexa-2,4-dienedioic acid...) Show SMILES CCOC(=O)C(SCC)C=CC(=O)C(=O)OCC |w:10.10| Show InChI InChI=1S/C12H18O5S/c1-4-16-11(14)9(13)7-8-10(18-6-3)12(15)17-5-2/h7-8,10H,4-6H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Curated by ChEMBL					Assay Description Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)				J Med Chem 33: 2744-9 (1990) BindingDB Entry DOI: 10.7270/Q2MK6BVP
					More data for this Ligand-Target Pair
Cyclooxygenase (RAT)	BDBM50014209 (2-Ethylsulfanyl-5-hydroxy-hexa-2,4-dienedioic acid...) Show SMILES CCOC(=O)C(SCC)C=CC(=O)C(=O)OCC |w:10.10| Show InChI InChI=1S/C12H18O5S/c1-4-16-11(14)9(13)7-8-10(18-6-3)12(15)17-5-2/h7-8,10H,4-6H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Curated by ChEMBL					Assay Description In vitro for prostaglandin G/H synthase inhibitory activity against rat basophil leukemia type 1 cell homogenates, by measuring the radioactivity of ...				J Med Chem 33: 2744-9 (1990) BindingDB Entry DOI: 10.7270/Q2MK6BVP
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50014209 (2-Ethylsulfanyl-5-hydroxy-hexa-2,4-dienedioic acid...) Show SMILES CCOC(=O)C(SCC)C=CC(=O)C(=O)OCC |w:10.10| Show InChI InChI=1S/C12H18O5S/c1-4-16-11(14)9(13)7-8-10(18-6-3)12(15)17-5-2/h7-8,10H,4-6H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Curated by ChEMBL					Assay Description Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)				J Med Chem 33: 2744-9 (1990) BindingDB Entry DOI: 10.7270/Q2MK6BVP
					More data for this Ligand-Target Pair