BDBM50417160 CHEMBL1270811

SMILES: COc1ccccc1-c1nnc(SCC#CCOC(=O)c2ccc(F)cc2)o1

InChI Key: InChIKey=KRODTTQINRPALR-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50417160   

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 15-lipoxygenase (Homo sapiens (Human))	BDBM50417160 (CHEMBL1270811) Show SMILES COc1ccccc1-c1nnc(SCC#CCOC(=O)c2ccc(F)cc2)o1 Show InChI InChI=1S/C20H15FN2O4S/c1-25-17-7-3-2-6-16(17)18-22-23-20(27-18)28-13-5-4-12-26-19(24)14-8-10-15(21)11-9-14/h2-3,6-11H,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair