BDBM50123674 CHEMBL3622740

SMILES: CCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC

InChI Key: InChIKey=URYYYAISYDBUJX-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50123674   

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))	BDBM50123674 (CHEMBL3622740) Show SMILES CCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC Show InChI InChI=1S/C17H20ClNO3/c1-3-5-6-7-14(20)15-12-9-8-11(18)10-13(12)19-16(15)17(21)22-4-2/h8-10,19H,3-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis				J Med Chem 58: 7850-62 (2015) BindingDB Entry DOI: 10.7270/Q28P62BK
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50123674 (CHEMBL3622740) Show SMILES CCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC Show InChI InChI=1S/C17H20ClNO3/c1-3-5-6-7-14(20)15-12-9-8-11(18)10-13(12)19-16(15)17(21)22-4-2/h8-10,19H,3-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human 15-LOX1 assessed as conversion of linoleic acid to 13(S)-HpODE after 10 mins by UV analysis				J Med Chem 58: 7850-62 (2015) BindingDB Entry DOI: 10.7270/Q28P62BK
					More data for this Ligand-Target Pair