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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 422.4
BDBM168716

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))
BDBM168716
PNG
(US9079866, 96 | US9745328, Compound 96 | US9884878...)
Show SMILES CS(=O)(=O)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C17H15FN4O4S2/c1-27(23,24)22-28(25,26)16-5-3-2-4-12(16)11-6-7-13(14(18)8-11)15-9-21-17(19)10-20-15/h2-10,22H,1H3,(H2,19,21)
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US Patent
354n/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))
BDBM168716
PNG
(US9079866, 96 | US9745328, Compound 96 | US9884878...)
Show SMILES CS(=O)(=O)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C17H15FN4O4S2/c1-27(23,24)22-28(25,26)16-5-3-2-4-12(16)11-6-7-13(14(18)8-11)15-9-21-17(19)10-20-15/h2-10,22H,1H3,(H2,19,21)
PDB
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US Patent
354n/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))
BDBM168716
PNG
(US9079866, 96 | US9745328, Compound 96 | US9884878...)
Show SMILES CS(=O)(=O)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C17H15FN4O4S2/c1-27(23,24)22-28(25,26)16-5-3-2-4-12(16)11-6-7-13(14(18)8-11)15-9-21-17(19)10-20-15/h2-10,22H,1H3,(H2,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
354n/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