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BDBM165008 US9067917, 41::US9067917, 43::US9682971, 42

SMILES: OC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1F

InChI Key: InChIKey=HHTSKRULZHVWQT-RPBOFIJWSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 165008   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM165008
PNG
(US9067917, 41 | US9067917, 43 | US9682971, 42)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1F |r|
Show InChI InChI=1S/C32H27F4N3O4/c33-26-15-23(43-32(34,35)36)12-10-20(26)17-39-29-14-13-22(42-18-21-11-9-19-5-1-4-8-27(19)37-21)16-28(29)38-30(39)24-6-2-3-7-25(24)31(40)41/h1,4-5,8-16,24-25H,2-3,6-7,17-18H2,(H,40,41)/t24-,25+/m1/s1
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US Patent
4.20n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM165008
PNG
(US9067917, 41 | US9067917, 43 | US9682971, 42)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1F |r|
Show InChI InChI=1S/C32H27F4N3O4/c33-26-15-23(43-32(34,35)36)12-10-20(26)17-39-29-14-13-22(42-18-21-11-9-19-5-1-4-8-27(19)37-21)16-28(29)38-30(39)24-6-2-3-7-25(24)31(40)41/h1,4-5,8-16,24-25H,2-3,6-7,17-18H2,(H,40,41)/t24-,25+/m1/s1
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US Patent
6.30n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM165008
PNG
(US9067917, 41 | US9067917, 43 | US9682971, 42)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1F |r|
Show InChI InChI=1S/C32H27F4N3O4/c33-26-15-23(43-32(34,35)36)12-10-20(26)17-39-29-14-13-22(42-18-21-11-9-19-5-1-4-8-27(19)37-21)16-28(29)38-30(39)24-6-2-3-7-25(24)31(40)41/h1,4-5,8-16,24-25H,2-3,6-7,17-18H2,(H,40,41)/t24-,25+/m1/s1
PDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
630n/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