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BDBM145824 US8952177, 180::US8952177, 182::US9089569, 182::US9695149, 182

SMILES: CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(cc1)N1CCC(C)CC1)C(O)=O

InChI Key: InChIKey=JCDOBRTUVRFQGV-UHFFFAOYSA-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 = 145824   
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))
BDBM145824
PNG
(US8952177, 180 | US8952177, 182 | US9089569, 182 |...)
Show SMILES CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(cc1)N1CCC(C)CC1)C(O)=O
Show InChI InChI=1S/C34H41FN4O3/c1-5-34(6-2,33(40)41)19-32-37-29-12-11-27(42-22-30-28(35)17-24(4)20-36-30)18-31(29)39(32)21-25-7-9-26(10-8-25)38-15-13-23(3)14-16-38/h7-12,17-18,20,23H,5-6,13-16,19,21-22H2,1-4H3,(H,40,41)
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US Patent
3n/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))
BDBM145824
PNG
(US8952177, 180 | US8952177, 182 | US9089569, 182 |...)
Show SMILES CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(cc1)N1CCC(C)CC1)C(O)=O
Show InChI InChI=1S/C34H41FN4O3/c1-5-34(6-2,33(40)41)19-32-37-29-12-11-27(42-22-30-28(35)17-24(4)20-36-30)18-31(29)39(32)21-25-7-9-26(10-8-25)38-15-13-23(3)14-16-38/h7-12,17-18,20,23H,5-6,13-16,19,21-22H2,1-4H3,(H,40,41)
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3n/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))
BDBM145824
PNG
(US8952177, 180 | US8952177, 182 | US9089569, 182 |...)
Show SMILES CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(cc1)N1CCC(C)CC1)C(O)=O
Show InChI InChI=1S/C34H41FN4O3/c1-5-34(6-2,33(40)41)19-32-37-29-12-11-27(42-22-30-28(35)17-24(4)20-36-30)18-31(29)39(32)21-25-7-9-26(10-8-25)38-15-13-23(3)14-16-38/h7-12,17-18,20,23H,5-6,13-16,19,21-22H2,1-4H3,(H,40,41)
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3n/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))
BDBM145824
PNG
(US8952177, 180 | US8952177, 182 | US9089569, 182 |...)
Show SMILES CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(cc1)N1CCC(C)CC1)C(O)=O
Show InChI InChI=1S/C34H41FN4O3/c1-5-34(6-2,33(40)41)19-32-37-29-12-11-27(42-22-30-28(35)17-24(4)20-36-30)18-31(29)39(32)21-25-7-9-26(10-8-25)38-15-13-23(3)14-16-38/h7-12,17-18,20,23H,5-6,13-16,19,21-22H2,1-4H3,(H,40,41)
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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))
BDBM145824
PNG
(US8952177, 180 | US8952177, 182 | US9089569, 182 |...)
Show SMILES CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(cc1)N1CCC(C)CC1)C(O)=O
Show InChI InChI=1S/C34H41FN4O3/c1-5-34(6-2,33(40)41)19-32-37-29-12-11-27(42-22-30-28(35)17-24(4)20-36-30)18-31(29)39(32)21-25-7-9-26(10-8-25)38-15-13-23(3)14-16-38/h7-12,17-18,20,23H,5-6,13-16,19,21-22H2,1-4H3,(H,40,41)
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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 US9695149 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52MSC
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM145824
PNG
(US8952177, 180 | US8952177, 182 | US9089569, 182 |...)
Show SMILES CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(cc1)N1CCC(C)CC1)C(O)=O
Show InChI InChI=1S/C34H41FN4O3/c1-5-34(6-2,33(40)41)19-32-37-29-12-11-27(42-22-30-28(35)17-24(4)20-36-30)18-31(29)39(32)21-25-7-9-26(10-8-25)38-15-13-23(3)14-16-38/h7-12,17-18,20,23H,5-6,13-16,19,21-22H2,1-4H3,(H,40,41)
PDB

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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