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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 586.7
BDBM145828

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))
BDBM145828
PNG
(US8952177, 184 | US9089569, 184 | US9695149, 184)
Show SMILES Cc1cnc(COc2ccc3nc(CC(C)(C)C(O)=O)n(Cc4ccc(cc4)N4CCC(CC4)C(C)(C)C)c3c2)c(F)c1
Show InChI InChI=1S/C35H43FN4O3/c1-23-17-28(36)30(37-20-23)22-43-27-11-12-29-31(18-27)40(32(38-29)19-35(5,6)33(41)42)21-24-7-9-26(10-8-24)39-15-13-25(14-16-39)34(2,3)4/h7-12,17-18,20,25H,13-16,19,21-22H2,1-6H3,(H,41,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
15n/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))
BDBM145828
PNG
(US8952177, 184 | US9089569, 184 | US9695149, 184)
Show SMILES Cc1cnc(COc2ccc3nc(CC(C)(C)C(O)=O)n(Cc4ccc(cc4)N4CCC(CC4)C(C)(C)C)c3c2)c(F)c1
Show InChI InChI=1S/C35H43FN4O3/c1-23-17-28(36)30(37-20-23)22-43-27-11-12-29-31(18-27)40(32(38-29)19-35(5,6)33(41)42)21-24-7-9-26(10-8-24)39-15-13-25(14-16-39)34(2,3)4/h7-12,17-18,20,25H,13-16,19,21-22H2,1-6H3,(H,41,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
15n/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))
BDBM145828
PNG
(US8952177, 184 | US9089569, 184 | US9695149, 184)
Show SMILES Cc1cnc(COc2ccc3nc(CC(C)(C)C(O)=O)n(Cc4ccc(cc4)N4CCC(CC4)C(C)(C)C)c3c2)c(F)c1
Show InChI InChI=1S/C35H43FN4O3/c1-23-17-28(36)30(37-20-23)22-43-27-11-12-29-31(18-27)40(32(38-29)19-35(5,6)33(41)42)21-24-7-9-26(10-8-24)39-15-13-25(14-16-39)34(2,3)4/h7-12,17-18,20,25H,13-16,19,21-22H2,1-6H3,(H,41,42)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
15n/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