BDBM50016512 CHEMBL3260682

SMILES: CCOC(=O)c1c(CSc2ccc(F)cc2F)n(C)c2ccc(O)cc12

InChI Key: InChIKey=IMBFQSVRAQORJX-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 = 50016512   

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))	BDBM50016512 (CHEMBL3260682) Show SMILES CCOC(=O)c1c(CSc2ccc(F)cc2F)n(C)c2ccc(O)cc12 Show InChI InChI=1S/C19H17F2NO3S/c1-3-25-19(24)18-13-9-12(23)5-6-15(13)22(2)16(18)10-26-17-7-4-11(20)8-14(17)21/h4-9,23H,3,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 5 to 10 mins by HPLC ana...				Eur J Med Chem 81: 492-8 (2014) Article DOI: 10.1016/j.ejmech.2014.05.033 BindingDB Entry DOI: 10.7270/Q2TX3GXD
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50016512 (CHEMBL3260682) Show SMILES CCOC(=O)c1c(CSc2ccc(F)cc2F)n(C)c2ccc(O)cc12 Show InChI InChI=1S/C19H17F2NO3S/c1-3-25-19(24)18-13-9-12(23)5-6-15(13)22(2)16(18)10-26-17-7-4-11(20)8-14(17)21/h4-9,23H,3,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production from arachidonic acid preincubated for 15 mins by ...				Eur J Med Chem 81: 492-8 (2014) Article DOI: 10.1016/j.ejmech.2014.05.033 BindingDB Entry DOI: 10.7270/Q2TX3GXD
					More data for this Ligand-Target Pair