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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 532.5
BDBM165172

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 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))
BDBM165172
PNG
(US9067917, 207 | US9682971, 207)
Show SMILES CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(cc1)-n1nccn1)C(O)=O
Show InChI InChI=1S/C31H28N6O3/c1-31(2,30(38)39)18-29-35-27-17-25(40-20-23-10-9-22-5-3-4-6-26(22)34-23)13-14-28(27)36(29)19-21-7-11-24(12-8-21)37-32-15-16-33-37/h3-17H,18-20H2,1-2H3,(H,38,39)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
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UniChem

Similars

US Patent
620n/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 US9682971 (2017)


BindingDB Entry DOI: 10.7270/Q2P26W84
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM165172
PNG
(US9067917, 207 | US9682971, 207)
Show SMILES CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(cc1)-n1nccn1)C(O)=O
Show InChI InChI=1S/C31H28N6O3/c1-31(2,30(38)39)18-29-35-27-17-25(40-20-23-10-9-22-5-3-4-6-26(22)34-23)13-14-28(27)36(29)19-21-7-11-24(12-8-21)37-32-15-16-33-37/h3-17H,18-20H2,1-2H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
620n/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 US9067917 (2015)


BindingDB Entry DOI: 10.7270/Q24748M5
More data for this
Ligand-Target Pair