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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.4
BDBM166974

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))
BDBM166974
PNG
(US9073876, 60 | US9732093, Compound 60)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(OCC(O)Cn2cccn2)c1F
Show InChI InChI=1S/C20H22FN5O2/c21-19-16(17-9-24-18(22)10-23-17)6-5-15(13-3-1-4-13)20(19)28-12-14(27)11-26-8-2-7-25-26/h2,5-10,13-14,27H,1,3-4,11-12H2,(H2,22,24)
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US Patent
116n/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))
BDBM166974
PNG
(US9073876, 60 | US9732093, Compound 60)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(OCC(O)Cn2cccn2)c1F
Show InChI InChI=1S/C20H22FN5O2/c21-19-16(17-9-24-18(22)10-23-17)6-5-15(13-3-1-4-13)20(19)28-12-14(27)11-26-8-2-7-25-26/h2,5-10,13-14,27H,1,3-4,11-12H2,(H2,22,24)
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US Patent
116n/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))
BDBM166974
PNG
(US9073876, 60 | US9732093, Compound 60)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(OCC(O)Cn2cccn2)c1F
Show InChI InChI=1S/C20H22FN5O2/c21-19-16(17-9-24-18(22)10-23-17)6-5-15(13-3-1-4-13)20(19)28-12-14(27)11-26-8-2-7-25-26/h2,5-10,13-14,27H,1,3-4,11-12H2,(H2,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
116n/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