BDBM50070308 3-[6-(4-Furan-3-yl-isoquinolin-7-yloxymethyl)-pyridin-2-yl]-6,8-dioxa-bicyclo[3.2.1]octan-3-ol::CHEMBL22736

SMILES: OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cncc3c2)-c2ccoc2)n1

InChI Key: InChIKey=PWOBQFFALARCEM-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070308   

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))	BDBM50070308 (3-[6-(4-Furan-3-yl-isoquinolin-7-yloxymethyl)-pyri...) Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cncc3c2)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4| Show InChI InChI=1S/C25H22N2O5/c28-25(9-20-15-31-24(10-25)32-20)23-3-1-2-18(27-23)14-30-19-4-5-21-17(8-19)11-26-12-22(21)16-6-7-29-13-16/h1-8,11-13,20,24,28H,9-10,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre For Therapeutic Research Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)				Bioorg Med Chem Lett 8: 1255-60 (1999) BindingDB Entry DOI: 10.7270/Q29P30SR
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