Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.3 BDBM168903

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM168903 (US9079866, 304 | US9745328, Compound 304 | US98848...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)nc1 Show InChI InChI=1S/C17H14FN3O2S/c1-24(22,23)16-5-3-2-4-14(16)11-6-7-13(15(18)8-11)12-9-20-17(19)21-10-12/h2-10H,1H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9079866 (2015) BindingDB Entry DOI: 10.7270/Q2FF3R3Q
					More data for this Ligand-Target Pair
Flap endonuclease 1 (Homo sapiens (Human))	BDBM168903 (US9079866, 304 | US9745328, Compound 304 | US98848...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)nc1 Show InChI InChI=1S/C17H14FN3O2S/c1-24(22,23)16-5-3-2-4-14(16)11-6-7-13(15(18)8-11)12-9-20-17(19)21-10-12/h2-10H,1H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 μg/well final for huma...				US Patent US9745328 (2017) BindingDB Entry DOI: 10.7270/Q2H13446
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM168903 (US9079866, 304 | US9745328, Compound 304 | US98848...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)nc1 Show InChI InChI=1S/C17H14FN3O2S/c1-24(22,23)16-5-3-2-4-14(16)11-6-7-13(15(18)8-11)12-9-20-17(19)21-10-12/h2-10H,1H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9884878 (2018) BindingDB Entry DOI: 10.7270/Q2R78H8P
					More data for this Ligand-Target Pair