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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.4
BDBM167082

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))
BDBM167082
PNG
(US9073876, 167 | US9732093, Compound 167)
Show SMILES Cc1cc(C)nc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)nc2)n1
Show InChI InChI=1S/C20H20FN5O/c1-11-8-12(2)26-20(25-11)27-18-16(13-4-3-5-13)7-6-15(17(18)21)14-9-23-19(22)24-10-14/h6-10,13H,3-5H2,1-2H3,(H2,22,23,24)
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US Patent
14.7n/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 US9073876 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NPC
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167082
PNG
(US9073876, 167 | US9732093, Compound 167)
Show SMILES Cc1cc(C)nc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)nc2)n1
Show InChI InChI=1S/C20H20FN5O/c1-11-8-12(2)26-20(25-11)27-18-16(13-4-3-5-13)7-6-15(17(18)21)14-9-23-19(22)24-10-14/h6-10,13H,3-5H2,1-2H3,(H2,22,23,24)
PDB
MMDB

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antibodypedia
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PC sid
UniChem

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US Patent
14.7n/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 US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167082
PNG
(US9073876, 167 | US9732093, Compound 167)
Show SMILES Cc1cc(C)nc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)nc2)n1
Show InChI InChI=1S/C20H20FN5O/c1-11-8-12(2)26-20(25-11)27-18-16(13-4-3-5-13)7-6-15(17(18)21)14-9-23-19(22)24-10-14/h6-10,13H,3-5H2,1-2H3,(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
14.7n/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 US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair