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BDBM145686 US8952177, 40::US8952177, 41::US9089569, 41::US9695149, 41

SMILES: Cn1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)n1

InChI Key: InChIKey=RISBHTOVLROQFG-FOIFJWKZSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 145686   
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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM145686
PNG
(US8952177, 40 | US8952177, 41 | US9089569, 41 | US...)
Show SMILES Cn1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)n1 |r|
Show InChI InChI=1S/C26H27BrN4O3/c1-30-13-12-19(29-30)16-34-20-10-11-23-24(14-20)31(15-17-6-8-18(27)9-7-17)25(28-23)21-4-2-3-5-22(21)26(32)33/h6-14,21-22H,2-5,15-16H2,1H3,(H,32,33)/t21?,22-/m1/s1
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US Patent
3.90n/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))
BDBM145686
PNG
(US8952177, 40 | US8952177, 41 | US9089569, 41 | US...)
Show SMILES Cn1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)n1 |r|
Show InChI InChI=1S/C26H27BrN4O3/c1-30-13-12-19(29-30)16-34-20-10-11-23-24(14-20)31(15-17-6-8-18(27)9-7-17)25(28-23)21-4-2-3-5-22(21)26(32)33/h6-14,21-22H,2-5,15-16H2,1H3,(H,32,33)/t21?,22-/m1/s1
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US Patent
3.90n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM145686
PNG
(US8952177, 40 | US8952177, 41 | US9089569, 41 | US...)
Show SMILES Cn1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)n1 |r|
Show InChI InChI=1S/C26H27BrN4O3/c1-30-13-12-19(29-30)16-34-20-10-11-23-24(14-20)31(15-17-6-8-18(27)9-7-17)25(28-23)21-4-2-3-5-22(21)26(32)33/h6-14,21-22H,2-5,15-16H2,1H3,(H,32,33)/t21?,22-/m1/s1
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3.90n/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))
BDBM145686
PNG
(US8952177, 40 | US8952177, 41 | US9089569, 41 | US...)
Show SMILES Cn1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)n1 |r|
Show InChI InChI=1S/C26H27BrN4O3/c1-30-13-12-19(29-30)16-34-20-10-11-23-24(14-20)31(15-17-6-8-18(27)9-7-17)25(28-23)21-4-2-3-5-22(21)26(32)33/h6-14,21-22H,2-5,15-16H2,1H3,(H,32,33)/t21?,22-/m1/s1
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11n/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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM145686
PNG
(US8952177, 40 | US8952177, 41 | US9089569, 41 | US...)
Show SMILES Cn1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)n1 |r|
Show InChI InChI=1S/C26H27BrN4O3/c1-30-13-12-19(29-30)16-34-20-10-11-23-24(14-20)31(15-17-6-8-18(27)9-7-17)25(28-23)21-4-2-3-5-22(21)26(32)33/h6-14,21-22H,2-5,15-16H2,1H3,(H,32,33)/t21?,22-/m1/s1
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US Patent
11n/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))
BDBM145686
PNG
(US8952177, 40 | US8952177, 41 | US9089569, 41 | US...)
Show SMILES Cn1ccc(COc2ccc3nc(C4CCCC[C@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)n1 |r|
Show InChI InChI=1S/C26H27BrN4O3/c1-30-13-12-19(29-30)16-34-20-10-11-23-24(14-20)31(15-17-6-8-18(27)9-7-17)25(28-23)21-4-2-3-5-22(21)26(32)33/h6-14,21-22H,2-5,15-16H2,1H3,(H,32,33)/t21?,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
11n/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