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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.3
BDBM167013

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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167013
PNG
(US9073876, 99 | US9732093, Compound 99)
Show SMILES COc1cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)nc(N)n1
Show InChI InChI=1S/C19H19FN6O2/c1-27-15-7-16(26-19(22)25-15)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-14(21)9-23-13/h5-10H,2-4H2,1H3,(H2,21,24)(H2,22,25,26)
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US Patent
5.5n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM167013
PNG
(US9073876, 99 | US9732093, Compound 99)
Show SMILES COc1cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)nc(N)n1
Show InChI InChI=1S/C19H19FN6O2/c1-27-15-7-16(26-19(22)25-15)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-14(21)9-23-13/h5-10H,2-4H2,1H3,(H2,21,24)(H2,22,25,26)
PDB
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PC sid
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US Patent
6n/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))
BDBM167013
PNG
(US9073876, 99 | US9732093, Compound 99)
Show SMILES COc1cc(Oc2c(F)c(ccc2C2CCC2)-c2cnc(N)cn2)nc(N)n1
Show InChI InChI=1S/C19H19FN6O2/c1-27-15-7-16(26-19(22)25-15)28-18-11(10-3-2-4-10)5-6-12(17(18)20)13-8-24-14(21)9-23-13/h5-10H,2-4H2,1H3,(H2,21,24)(H2,22,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
6n/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