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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 557.5
BDBM145713

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))
BDBM145713
PNG
(US8952177, 67 | US9089569, 67 | US9695149, 67)
Show SMILES Cc1ccc(COc2cc(F)c3nc(C4CCCC[C@@H]4C(O)=O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1 |r|
Show InChI InChI=1S/C29H27F4N3O4/c1-17-6-9-19(34-14-17)16-39-21-12-24(30)26-25(13-21)36(15-18-7-10-20(11-8-18)40-29(31,32)33)27(35-26)22-4-2-3-5-23(22)28(37)38/h6-14,22-23H,2-5,15-16H2,1H3,(H,37,38)/t22?,23-/m0/s1
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UniProtKB/SwissProt

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PC sid
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Similars

US Patent
11n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-in...


US Patent US8952177 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CFW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM145713
PNG
(US8952177, 67 | US9089569, 67 | US9695149, 67)
Show SMILES Cc1ccc(COc2cc(F)c3nc(C4CCCC[C@@H]4C(O)=O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1 |r|
Show InChI InChI=1S/C29H27F4N3O4/c1-17-6-9-19(34-14-17)16-39-21-12-24(30)26-25(13-21)36(15-18-7-10-20(11-8-18)40-29(31,32)33)27(35-26)22-4-2-3-5-23(22)28(37)38/h6-14,22-23H,2-5,15-16H2,1H3,(H,37,38)/t22?,23-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
11n/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 US9695149 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52MSC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM145713
PNG
(US8952177, 67 | US9089569, 67 | US9695149, 67)
Show SMILES Cc1ccc(COc2cc(F)c3nc(C4CCCC[C@@H]4C(O)=O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1 |r|
Show InChI InChI=1S/C29H27F4N3O4/c1-17-6-9-19(34-14-17)16-39-21-12-24(30)26-25(13-21)36(15-18-7-10-20(11-8-18)40-29(31,32)33)27(35-26)22-4-2-3-5-23(22)28(37)38/h6-14,22-23H,2-5,15-16H2,1H3,(H,37,38)/t22?,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
11n/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 US9089569 (2015)


BindingDB Entry DOI: 10.7270/Q23X85DB
More data for this
Ligand-Target Pair