BDBM50142706 CHEMBL3759622

SMILES: CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21

InChI Key: InChIKey=DHFZBGQYBOIWIA-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 = 50142706   

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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50142706 (CHEMBL3759622) Show SMILES CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-18(26)12-6-3-4-7-13(12)20(14)25-17(19)11-29-21-15(23)8-5-9-16(21)24/h3-10,25-26H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second University of Naples Curated by ChEMBL					Assay Description Inhibition of IL-1beta-activated m-PGES-1 in microsome of human A549 cells assessed as PGE2 formation preincubated for 15 mins followed by PGH2 addit...				Eur J Med Chem 108: 466-75 (2016) BindingDB Entry DOI: 10.7270/Q2BR8V14
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50142706 (CHEMBL3759622) Show SMILES CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-18(26)12-6-3-4-7-13(12)20(14)25-17(19)11-29-21-15(23)8-5-9-16(21)24/h3-10,25-26H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Second University of Naples Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...				Eur J Med Chem 108: 466-75 (2016) BindingDB Entry DOI: 10.7270/Q2BR8V14
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50142706 (CHEMBL3759622) Show SMILES CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-18(26)12-6-3-4-7-13(12)20(14)25-17(19)11-29-21-15(23)8-5-9-16(21)24/h3-10,25-26H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Second University of Naples Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis				Eur J Med Chem 108: 466-75 (2016) BindingDB Entry DOI: 10.7270/Q2BR8V14
					More data for this Ligand-Target Pair