BDBM50105870 CHEMBL3597768

SMILES: Fc1ccc(NC(=O)c2ccn(n2)C(=S)Nc2ccc3OCOc3c2)c(Cl)c1

InChI Key: InChIKey=FZOXUWDFFRYEEU-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50105870   

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))	BDBM50105870 (CHEMBL3597768) Show SMILES Fc1ccc(NC(=O)c2ccn(n2)C(=S)Nc2ccc3OCOc3c2)c(Cl)c1 Show InChI InChI=1S/C18H12ClFN4O3S/c19-12-7-10(20)1-3-13(12)22-17(25)14-5-6-24(23-14)18(28)21-11-2-4-15-16(8-11)27-9-26-15/h1-8H,9H2,(H,21,28)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of human 15-LOX-1 using arachidonic acid as substrate by cell based assay				Bioorg Med Chem Lett 25: 3017-23 (2015) BindingDB Entry DOI: 10.7270/Q2F191G3
					More data for this Ligand-Target Pair