BDBM50014205 2-Hydroxy-5-methylsulfanyl-6-oxo-6-phenyl-hexa-2,4-dienoic acid ethyl ester::CHEMBL329606

SMILES: CCOC(=O)C(=O)CC=C(SC)C(=O)c1ccccc1

InChI Key: InChIKey=WYDPKZWJVRYMEM-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 = 50014205   

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)	BDBM50014205 (2-Hydroxy-5-methylsulfanyl-6-oxo-6-phenyl-hexa-2,4...) Show SMILES CCOC(=O)C(=O)CC=C(SC)C(=O)c1ccccc1 |w:8.7| Show InChI InChI=1S/C15H16O4S/c1-3-19-15(18)12(16)9-10-13(20-2)14(17)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3	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
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50014205 (2-Hydroxy-5-methylsulfanyl-6-oxo-6-phenyl-hexa-2,4...) Show SMILES CCOC(=O)C(=O)CC=C(SC)C(=O)c1ccccc1 |w:8.7| Show InChI InChI=1S/C15H16O4S/c1-3-19-15(18)12(16)9-10-13(20-2)14(17)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Curated by ChEMBL					Assay Description In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipoxygenase assay				J Med Chem 33: 2744-9 (1990) BindingDB Entry DOI: 10.7270/Q2MK6BVP
					More data for this Ligand-Target Pair
Cyclooxygenase (RAT)	BDBM50014205 (2-Hydroxy-5-methylsulfanyl-6-oxo-6-phenyl-hexa-2,4...) Show SMILES CCOC(=O)C(=O)CC=C(SC)C(=O)c1ccccc1 |w:8.7| Show InChI InChI=1S/C15H16O4S/c1-3-19-15(18)12(16)9-10-13(20-2)14(17)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3	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 inhibition of 5-lipoxygenase in rat (peritoneal assay)				J Med Chem 33: 2744-9 (1990) BindingDB Entry DOI: 10.7270/Q2MK6BVP
					More data for this Ligand-Target Pair