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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 465.5
BDBM169005

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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))
BDBM169005
PNG
(US9079866, 406 | US9745328, Compound 406 | US98848...)
Show SMILES CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2ccc(c(F)c2)-c2cnc(N)cn2)C1
Show InChI InChI=1S/C25H28FN5O3/c1-25(2,3)34-24(32)31-10-8-16(14-31)15-33-23-18(5-4-9-28-23)17-6-7-19(20(26)11-17)21-12-30-22(27)13-29-21/h4-7,9,11-13,16H,8,10,14-15H2,1-3H3,(H2,27,30)
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US Patent
135n/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 US9079866 (2015)


BindingDB Entry DOI: 10.7270/Q2FF3R3Q
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM169005
PNG
(US9079866, 406 | US9745328, Compound 406 | US98848...)
Show SMILES CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2ccc(c(F)c2)-c2cnc(N)cn2)C1
Show InChI InChI=1S/C25H28FN5O3/c1-25(2,3)34-24(32)31-10-8-16(14-31)15-33-23-18(5-4-9-28-23)17-6-7-19(20(26)11-17)21-12-30-22(27)13-29-21/h4-7,9,11-13,16H,8,10,14-15H2,1-3H3,(H2,27,30)
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US Patent
135n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 μg/well final for huma...


US Patent US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM169005
PNG
(US9079866, 406 | US9745328, Compound 406 | US98848...)
Show SMILES CC(C)(C)OC(=O)N1CCC(COc2ncccc2-c2ccc(c(F)c2)-c2cnc(N)cn2)C1
Show InChI InChI=1S/C25H28FN5O3/c1-25(2,3)34-24(32)31-10-8-16(14-31)15-33-23-18(5-4-9-28-23)17-6-7-19(20(26)11-17)21-12-30-22(27)13-29-21/h4-7,9,11-13,16H,8,10,14-15H2,1-3H3,(H2,27,30)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
135n/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 US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair