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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.5
BDBM145743

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))
BDBM145743
PNG
(US8952177, 97 | US9089569, 97 | US9695149, 97)
Show SMILES Cc1ccc(Cn2c(nc3c(F)cc(OCc4ccn(C)n4)cc23)[C@@H]2CCCC[C@@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H29FN4O3/c1-17-7-9-18(10-8-17)15-32-24-14-20(35-16-19-11-12-31(2)30-19)13-23(28)25(24)29-26(32)21-5-3-4-6-22(21)27(33)34/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,33,34)/t21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
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Similars

US Patent
7.5n/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))
BDBM145743
PNG
(US8952177, 97 | US9089569, 97 | US9695149, 97)
Show SMILES Cc1ccc(Cn2c(nc3c(F)cc(OCc4ccn(C)n4)cc23)[C@@H]2CCCC[C@@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H29FN4O3/c1-17-7-9-18(10-8-17)15-32-24-14-20(35-16-19-11-12-31(2)30-19)13-23(28)25(24)29-26(32)21-5-3-4-6-22(21)27(33)34/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,33,34)/t21-,22+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
7.5n/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 US9695149 (2017)


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


(Homo sapiens (Human))
BDBM145743
PNG
(US8952177, 97 | US9089569, 97 | US9695149, 97)
Show SMILES Cc1ccc(Cn2c(nc3c(F)cc(OCc4ccn(C)n4)cc23)[C@@H]2CCCC[C@@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H29FN4O3/c1-17-7-9-18(10-8-17)15-32-24-14-20(35-16-19-11-12-31(2)30-19)13-23(28)25(24)29-26(32)21-5-3-4-6-22(21)27(33)34/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,33,34)/t21-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
7.5n/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 US9089569 (2015)


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