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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 569.6
BDBM165099

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))
BDBM165099
PNG
(US9067917, 134 | US9682971, 134)
Show SMILES OC(=O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(cc1)-c1cncnc1 |r|
Show InChI InChI=1S/C35H31N5O3/c41-35(42)30-7-3-2-6-29(30)34-39-32-17-28(43-21-27-14-13-25-5-1-4-8-31(25)38-27)15-16-33(32)40(34)20-23-9-11-24(12-10-23)26-18-36-22-37-19-26/h1,4-5,8-19,22,29-30H,2-3,6-7,20-21H2,(H,41,42)/t29?,30-/m0/s1
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Similars

US Patent
120n/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))
BDBM165099
PNG
(US9067917, 134 | US9682971, 134)
Show SMILES OC(=O)[C@H]1CCCCC1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(cc1)-c1cncnc1 |r|
Show InChI InChI=1S/C35H31N5O3/c41-35(42)30-7-3-2-6-29(30)34-39-32-17-28(43-21-27-14-13-25-5-1-4-8-31(25)38-27)15-16-33(32)40(34)20-23-9-11-24(12-10-23)26-18-36-22-37-19-26/h1,4-5,8-19,22,29-30H,2-3,6-7,20-21H2,(H,41,42)/t29?,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
120n/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