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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-lipoxygenase/FLAP' and Ligand = 'BDBM165107'   
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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM165107
PNG
(US9067917, 142 | US9682971, 142)
Show SMILES OC(=O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(c2)-c2ccn[nH]2)CCCC1
Show InChI InChI=1S/C34H31N5O3/c40-33(41)34(15-3-4-16-34)20-32-37-30-19-27(42-22-26-11-10-24-7-1-2-9-28(24)36-26)12-13-31(30)39(32)21-23-6-5-8-25(18-23)29-14-17-35-38-29/h1-2,5-14,17-19H,3-4,15-16,20-22H2,(H,35,38)(H,40,41)
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PC cid
PC sid
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Similars

US Patent
12n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM165107
PNG
(US9067917, 142 | US9682971, 142)
Show SMILES OC(=O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(c2)-c2ccn[nH]2)CCCC1
Show InChI InChI=1S/C34H31N5O3/c40-33(41)34(15-3-4-16-34)20-32-37-30-19-27(42-22-26-11-10-24-7-1-2-9-28(24)36-26)12-13-31(30)39(32)21-23-6-5-8-25(18-23)29-14-17-35-38-29/h1-2,5-14,17-19H,3-4,15-16,20-22H2,(H,35,38)(H,40,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
12n/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