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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 460.4
BDBM169391

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

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM169391
PNG
(US9079866, 796 | US9745328, Compound 796 | US98848...)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1F)-c1ccc(cc1C(=O)N1CCC(O)CC1)C(F)(F)F
Show InChI InChI=1S/C23H20F4N4O2/c24-20-9-13(1-3-18(20)14-11-29-22(28)30-12-14)17-4-2-15(23(25,26)27)10-19(17)21(33)31-7-5-16(32)6-8-31/h1-4,9-12,16,32H,5-8H2,(H2,28,29,30)
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US Patent
391n/an/an/an/an/an/an/an/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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM169391
PNG
(US9079866, 796 | US9745328, Compound 796 | US98848...)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1F)-c1ccc(cc1C(=O)N1CCC(O)CC1)C(F)(F)F
Show InChI InChI=1S/C23H20F4N4O2/c24-20-9-13(1-3-18(20)14-11-29-22(28)30-12-14)17-4-2-15(23(25,26)27)10-19(17)21(33)31-7-5-16(32)6-8-31/h1-4,9-12,16,32H,5-8H2,(H2,28,29,30)
PDB
MMDB

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US Patent
391n/an/an/an/an/an/an/an/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))
BDBM169391
PNG
(US9079866, 796 | US9745328, Compound 796 | US98848...)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1F)-c1ccc(cc1C(=O)N1CCC(O)CC1)C(F)(F)F
Show InChI InChI=1S/C23H20F4N4O2/c24-20-9-13(1-3-18(20)14-11-29-22(28)30-12-14)17-4-2-15(23(25,26)27)10-19(17)21(33)31-7-5-16(32)6-8-31/h1-4,9-12,16,32H,5-8H2,(H2,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
391n/an/an/an/an/an/an/an/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