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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-lipoxygenase/FLAP' and Ligand = 'BDBM169405'   
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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM169405
PNG
(US9079866, 810 | US9745328, Compound 810 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1cccnc1S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C20H19FN4O2S/c21-17-10-13(7-8-16(17)18-11-25-19(22)12-24-18)15-6-3-9-23-20(15)28(26,27)14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H2,22,25)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
0.600n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM169405
PNG
(US9079866, 810 | US9745328, Compound 810 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1cccnc1S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C20H19FN4O2S/c21-17-10-13(7-8-16(17)18-11-25-19(22)12-24-18)15-6-3-9-23-20(15)28(26,27)14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H2,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.600n/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