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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 413.4
BDBM168669

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))
BDBM168669
PNG
(US9079866, 46 | US9745328, Compound 46 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C20H20FN5O2S/c21-17-11-14(5-6-16(17)18-12-25-20(22)13-24-18)15-3-1-2-4-19(15)29(27,28)26-9-7-23-8-10-26/h1-6,11-13,23H,7-10H2,(H2,22,25)
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US Patent
57n/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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM168669
PNG
(US9079866, 46 | US9745328, Compound 46 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C20H20FN5O2S/c21-17-11-14(5-6-16(17)18-12-25-20(22)13-24-18)15-3-1-2-4-19(15)29(27,28)26-9-7-23-8-10-26/h1-6,11-13,23H,7-10H2,(H2,22,25)
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US Patent
57n/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))
BDBM168669
PNG
(US9079866, 46 | US9745328, Compound 46 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C20H20FN5O2S/c21-17-11-14(5-6-16(17)18-12-25-20(22)13-24-18)15-3-1-2-4-19(15)29(27,28)26-9-7-23-8-10-26/h1-6,11-13,23H,7-10H2,(H2,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC sid
UniChem

Similars

US Patent
57n/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