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BDBM60470 BDBM168646::US9079866, 127::US9745328, Compound 127::US9884878, Compound 127

SMILES: C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F

InChI Key: InChIKey=MMJYJAOZVYCUHZ-LDGXTIHJNA-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 = 60470   
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))
BDBM60470
PNG
(BDBM168646 | US9079866, 127 | US9745328, Compound ...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F |r|
Show InChI InChI=1/C19H16F4N4O2S/c1-11(19(21,22)23)27-30(28,29)17-5-3-2-4-13(17)12-6-7-14(15(20)8-12)16-9-26-18(24)10-25-16/h2-11,27H,1H3,(H2,24,26)/t11-/s2
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1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9884878 (2018)


BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM60470
PNG
(BDBM168646 | US9079866, 127 | US9745328, Compound ...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F |r|
Show InChI InChI=1/C19H16F4N4O2S/c1-11(19(21,22)23)27-30(28,29)17-5-3-2-4-13(17)12-6-7-14(15(20)8-12)16-9-26-18(24)10-25-16/h2-11,27H,1H3,(H2,24,26)/t11-/s2
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent




US Patent US9745328 (2017)


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


(Homo sapiens (Human))
BDBM60470
PNG
(BDBM168646 | US9079866, 127 | US9745328, Compound ...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F |r|
Show InChI InChI=1/C19H16F4N4O2S/c1-11(19(21,22)23)27-30(28,29)17-5-3-2-4-13(17)12-6-7-14(15(20)8-12)16-9-26-18(24)10-25-16/h2-11,27H,1H3,(H2,24,26)/t11-/s2
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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))
BDBM60470
PNG
(BDBM168646 | US9079866, 127 | US9745328, Compound ...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F |r|
Show InChI InChI=1/C19H16F4N4O2S/c1-11(19(21,22)23)27-30(28,29)17-5-3-2-4-13(17)12-6-7-14(15(20)8-12)16-9-26-18(24)10-25-16/h2-11,27H,1H3,(H2,24,26)/t11-/s2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent




US Patent US9745328 (2017)


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


(Homo sapiens (Human))
BDBM60470
PNG
(BDBM168646 | US9079866, 127 | US9745328, Compound ...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F |r|
Show InChI InChI=1/C19H16F4N4O2S/c1-11(19(21,22)23)27-30(28,29)17-5-3-2-4-13(17)12-6-7-14(15(20)8-12)16-9-26-18(24)10-25-16/h2-11,27H,1H3,(H2,24,26)/t11-/s2
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2n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9884878 (2018)


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


(Homo sapiens (Human))
BDBM60470
PNG
(BDBM168646 | US9079866, 127 | US9745328, Compound ...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F |r|
Show InChI InChI=1/C19H16F4N4O2S/c1-11(19(21,22)23)27-30(28,29)17-5-3-2-4-13(17)12-6-7-14(15(20)8-12)16-9-26-18(24)10-25-16/h2-11,27H,1H3,(H2,24,26)/t11-/s2
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2n/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