BDBM50182308 7-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenylthio)-4-(furan-3-yl)-2H-chromen-2-one::CHEMBL377094

SMILES: OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=PUNOGAHUBMXANZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50182308   

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))	BDBM50182308 (7-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...) Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H11F7O4S/c23-13-5-12(20(31,21(24,25)26)22(27,28)29)6-15(7-13)34-14-1-2-16-17(11-3-4-32-10-11)9-19(30)33-18(16)8-14/h1-10,31H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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 human 5-LO				Bioorg Med Chem Lett 16: 2528-31 (2006) Article DOI: 10.1016/j.bmcl.2006.01.085 BindingDB Entry DOI: 10.7270/Q2NV9HVZ
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50182308 (7-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...) Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H11F7O4S/c23-13-5-12(20(31,21(24,25)26)22(27,28)29)6-15(7-13)34-14-1-2-16-17(11-3-4-32-10-11)9-19(30)33-18(16)8-14/h1-10,31H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	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 LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte				Bioorg Med Chem Lett 16: 2528-31 (2006) Article DOI: 10.1016/j.bmcl.2006.01.085 BindingDB Entry DOI: 10.7270/Q2NV9HVZ
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50182308 (7-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...) Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccoc2)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H11F7O4S/c23-13-5-12(20(31,21(24,25)26)22(27,28)29)6-15(7-13)34-14-1-2-16-17(11-3-4-32-10-11)9-19(30)33-18(16)8-14/h1-10,31H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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 LTB4 production in calcium ionophore A23187-stimulated human whole blood				Bioorg Med Chem Lett 16: 2528-31 (2006) Article DOI: 10.1016/j.bmcl.2006.01.085 BindingDB Entry DOI: 10.7270/Q2NV9HVZ
					More data for this Ligand-Target Pair