BDBM50070310 4-Furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yl)-pyridin-2-ylmethoxy]-quinoline-2-carbonitrile::CHEMBL22751

SMILES: OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)n1

InChI Key: InChIKey=BSIXMMYGVHKSOF-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 = 50070310   

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))	BDBM50070310 (4-Furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2...) Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(nc3c2)C#N)-c2ccoc2)n1 |TLB:0:1:8:5.4,THB:9:1:8:5.4| Show InChI InChI=1S/C26H21N3O5/c27-12-18-8-22(16-6-7-31-13-16)21-5-4-19(9-23(21)28-18)32-14-17-2-1-3-24(29-17)26(30)10-20-15-33-25(11-26)34-20/h1-9,13,20,25,30H,10-11,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	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
					More data for this Ligand-Target Pair