BDBM50142751 CHEMBL3759086

SMILES: CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21

InChI Key: InChIKey=DSFGUFSQHQCQIQ-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 = 50142751   

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 (Homo sapiens (Human))	BDBM50142751 (CHEMBL3759086) Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H18ClNO3S/c1-2-27-22(26)20-15-11-18(25)13-7-3-4-8-14(13)21(15)24-17(20)12-28-19-10-6-5-9-16(19)23/h3-11,24-25H,2,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	820	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))	BDBM50142751 (CHEMBL3759086) Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21 Show InChI InChI=1S/C22H18ClNO3S/c1-2-27-22(26)20-15-11-18(25)13-7-3-4-8-14(13)21(15)24-17(20)12-28-19-10-6-5-9-16(19)23/h3-11,24-25H,2,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	182	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