BDBM50016514 CHEMBL3260680

SMILES: CCOC(=O)c1c(CSc2c(C)cccc2C)n(C)c2ccc(O)cc12

InChI Key: InChIKey=XKIHGMIHMQVFNY-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 = 50016514   

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))	BDBM50016514 (CHEMBL3260680) Show SMILES CCOC(=O)c1c(CSc2c(C)cccc2C)n(C)c2ccc(O)cc12 Show InChI InChI=1S/C21H23NO3S/c1-5-25-21(24)19-16-11-15(23)9-10-17(16)22(4)18(19)12-26-20-13(2)7-6-8-14(20)3/h6-11,23H,5,12H2,1-4H3	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	800	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))	BDBM50016514 (CHEMBL3260680) Show SMILES CCOC(=O)c1c(CSc2c(C)cccc2C)n(C)c2ccc(O)cc12 Show InChI InChI=1S/C21H23NO3S/c1-5-25-21(24)19-16-11-15(23)9-10-17(16)22(4)18(19)12-26-20-13(2)7-6-8-14(20)3/h6-11,23H,5,12H2,1-4H3	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	1.20E+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