BDBM50053548 4-Furan-3-yl-7-[3-(3-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yl)-benzyloxy]-naphthalene-2-carbonitrile::CHEMBL97380::L-702-539

SMILES: OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1

InChI Key: InChIKey=CHLJRXIFRPILDX-UHFFFAOYSA-N

Data: 2 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 = 50053548   

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))	BDBM50053548 (4-Furan-3-yl-7-[3-(3-hydroxy-6,8-dioxa-bicyclo[3.2...) Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4| Show InChI InChI=1S/C28H23NO5/c29-14-19-8-21-11-23(4-5-25(21)26(10-19)20-6-7-31-16-20)32-15-18-2-1-3-22(9-18)28(30)12-24-17-33-27(13-28)34-24/h1-11,16,24,27,30H,12-13,15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay				J Med Chem 40: 2866-75 (1997) Article DOI: 10.1021/jm970046b BindingDB Entry DOI: 10.7270/Q2QN67G4
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50053548 (4-Furan-3-yl-7-[3-(3-hydroxy-6,8-dioxa-bicyclo[3.2...) Show SMILES OC1(CC2COC(C1)O2)c1cccc(COc2ccc3c(cc(cc3c2)C#N)-c2ccoc2)c1 |TLB:0:1:8:5.4,THB:9:1:8:5.4| Show InChI InChI=1S/C28H23NO5/c29-14-19-8-21-11-23(4-5-25(21)26(10-19)20-6-7-31-16-20)32-15-18-2-1-3-22(9-18)28(30)12-24-17-33-27(13-28)34-24/h1-11,16,24,27,30H,12-13,15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenase				J Med Chem 39: 3951-70 (1996) Article DOI: 10.1021/jm960301c BindingDB Entry DOI: 10.7270/Q2639QCJ
					More data for this Ligand-Target Pair