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Compile Data Set for Download or QSAR

Found 845 hits Enz. Inhib. hit(s) with all data for entry = 626   
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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM283229
PNG
(4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-(3- hydroxy-1...)
Show SMILES CC(C)(CCO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
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0n/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))
BDBM283677
PNG
(5-[3-Fluoro-2'-(pyrimidin-2-yloxy)-4'- (trifluorom...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(cc1Oc1ncccn1)C(F)(F)F
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0n/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))
BDBM283245
PNG
(4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-((1S,2S)- 1-h...)
Show SMILES C[C@@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
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0n/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))
BDBM283248
PNG
((trans)-4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-[2- (...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1CO |r|
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0n/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))
BDBM283262
PNG
((S)-(1-{[4'-(5-Aminopyrazin-2-yl)-3'- fluorobiphen...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1[C@H](CO)Cc2ccccc12 |r|
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0n/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))
BDBM283287
PNG
(4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-((1S,2R)- 2-h...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
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0n/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))
BDBM283288
PNG
(4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-((1R,2S)- 2-h...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r|
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0n/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))
BDBM283303
PNG
(5-{3-Fluoro-2'-[(4-pyrazin-2-ylpiperazin-1- yl)sul...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCN(CC1)c1cnccn1
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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))
BDBM283304
PNG
(5-{3-Fluoro-2'-[(4-pyrimidin-2-ylpiperazin-1- yl)s...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCN(CC1)c1ncccn1
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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))
BDBM283306
PNG
(4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-[1- (hydroxym...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NC1(CO)CCCC1
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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))
BDBM283335
PNG
(4'-(5-Aminopyrazxin-2-yl)-3'-fluoro-N-methyl-4- (t...)
Show SMILES CNS(=O)(=O)c1cc(ccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F
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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))
BDBM283337
PNG
(4'-(5-aminopyrazin-2-yl)-3'-fluoro-N-(2- hydroxyet...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(cc1S(=O)(=O)NCCO)C(F)(F)F
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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))
BDBM283502
PNG
(3'-Fluoro-4'-(5H-pyrrolo[2,3-b]pyrazin-2-yl)N-- N-...)
Show SMILES CC(NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2[nH]ccc2n1)C(F)(F)F
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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))
BDBM283508
PNG
(2-{2'-[(1,1-Dioxidothiomorpholin-4-yl)sulfonyl]- 3...)
Show SMILES Fc1cc(ccc1-c1cnc2[nH]ccc2n1)-c1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1
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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))
BDBM283516
PNG
(4'-(3,4-Dihydro-2H-pyrido[3,2-b][1,4]oxazin-7- yl)...)
Show SMILES C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2NCCOc2c1 |r|
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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))
BDBM283230
PNG
(4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-(3- hydroxy-2...)
Show SMILES CC(C)(CO)CNS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
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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))
BDBM169403
PNG
(US9079866, 808 | US9745328, Compound 808 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1cccnc1S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C21H21FN4O2S/c22-18-11-14(8-9-17(18)19-12-26-20(23)13-25-19)16-7-4-10-24-21(16)29(27,28)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6H2,(H2,23,26)
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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))
BDBM169405
PNG
(US9079866, 810 | US9745328, Compound 810 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1cccnc1S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C20H19FN4O2S/c21-17-10-13(7-8-16(17)18-11-25-19(22)12-24-18)15-6-3-9-23-20(15)28(26,27)14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H2,22,25)
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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))
BDBM169201
PNG
(US9079866, 602 | US9745328, Compound 602 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C26H18F2N6/c27-21-9-15(5-7-19(21)23-11-33-25(29)13-31-23)17-3-1-2-4-18(17)16-6-8-20(22(28)10-16)24-12-34-26(30)14-32-24/h1-14H,(H2,29,33)(H2,30,34)
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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))
BDBM169421
PNG
(US9079866, 826 | US9745328, Compound 826 | US98848...)
Show SMILES CC(C)S(=O)(=O)c1ncccc1-c1ccc(c(F)c1)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C21H18FN3O2S/c1-13(2)28(26,27)21-18(4-3-8-24-21)14-5-6-17(19(22)11-14)16-10-15-7-9-23-20(15)25-12-16/h3-13H,1-2H3,(H,23,25)
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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))
BDBM169270
PNG
(US9079866, 675 | US9745328, Compound 675 | US98848...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc(c(F)c1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H20FN5O2S/c1-19(2,3)25-28(26,27)16-7-5-4-6-14(16)12-8-15(20)17(22-9-12)13-10-23-18(21)24-11-13/h4-11,25H,1-3H3,(H2,21,23,24)
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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))
BDBM168701
PNG
(US9079866, 78 | US9745328, Compound 78 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@@H](CO)[C@@H](O)c1ccccc1 |r|
Show InChI InChI=1/C25H23FN4O4S/c26-20-12-17(10-11-19(20)21-13-29-24(27)14-28-21)18-8-4-5-9-23(18)35(33,34)30-22(15-31)25(32)16-6-2-1-3-7-16/h1-14,22,25,30-32H,15H2,(H2,27,29)/t22-,25-/s2
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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))
BDBM168705
PNG
(US9079866, 82 | US9745328, Compound 82 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@@H](CO)c1ccccc1 |r|
Show InChI InChI=1/C24H21FN4O3S/c25-20-12-17(10-11-19(20)21-13-28-24(26)14-27-21)18-8-4-5-9-23(18)33(31,32)29-22(15-30)16-6-2-1-3-7-16/h1-14,22,29-30H,15H2,(H2,26,28)/t22-/s2
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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))
BDBM168706
PNG
(US9079866, 83 | US9745328, Compound 83 | US9884878...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)[C@@H](O)c1ccccc1 |r|
Show InChI InChI=1/C25H23FN4O3S/c1-16(25(31)17-7-3-2-4-8-17)30-34(32,33)23-10-6-5-9-19(23)18-11-12-20(21(26)13-18)22-14-29-24(27)15-28-22/h2-16,25,30-31H,1H3,(H2,27,29)/t16-,25+/s2
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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))
BDBM168713
PNG
(US9079866, 90 | US9745328, Compound 90 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C20H19FN4O2S/c21-17-9-14(7-8-16(17)18-11-24-20(22)12-23-18)15-3-1-2-4-19(15)28(26,27)25-10-13-5-6-13/h1-4,7-9,11-13,25H,5-6,10H2,(H2,22,24)
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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))
BDBM168631
PNG
(US9079866, 4 | US9745328, Compound 4 | US9884878, ...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1
Show InChI InChI=1S/C20H21FN4O2S/c1-20(2,3)25-28(26,27)18-7-5-4-6-14(18)13-8-9-15(16(21)10-13)17-11-24-19(22)12-23-17/h4-12,25H,1-3H3,(H2,22,24)
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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))
BDBM168633
PNG
(US9079866, 6 | US9745328, Compound 6 | US9884878, ...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C22H23FN4O2S/c23-19-12-15(10-11-18(19)20-13-26-22(24)14-25-20)17-8-4-5-9-21(17)30(28,29)27-16-6-2-1-3-7-16/h4-5,8-14,16,27H,1-3,6-7H2,(H2,24,26)
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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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM168635
PNG
(US9079866, 8 | US9745328, Compound 8 | US9884878, ...)
Show SMILES CC(NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F
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)
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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))
BDBM283140
PNG
(4'-(5-Aminopyrazin-2-yl)-3'-fluoro-N-(2,2,2- trifl...)
Show SMILES CC(C)(CS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F
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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
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




US Patent US9884878 (2018)


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


(Homo sapiens (Human))
BDBM168648
PNG
(US9079866, 22 | US9079866, 23 | US9745328, Compoun...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1/C25H21FN4O2S/c26-21-13-17(9-11-20(21)23-14-29-25(27)15-28-23)19-7-3-4-8-24(19)33(31,32)30-22-12-10-16-5-1-2-6-18(16)22/h1-9,11,13-15,22,30H,10,12H2,(H2,27,29)/t22-/s2
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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))
BDBM168649
PNG
(US9079866, 26 | US9745328, Compound 26 | US9884878...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H17FN4O2S/c23-19-12-15(10-11-18(19)20-13-26-22(24)14-25-20)17-8-4-5-9-21(17)30(28,29)27-16-6-2-1-3-7-16/h1-14,27H,(H2,24,26)
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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))
BDBM169122
PNG
(US9079866, 523 | US9745328, Compound 523 | US98848...)
Show SMILES Nc1nccc(Oc2ccccc2-c2ccc(c(F)c2)-c2cnc3[nH]ccc3c2)n1
Show InChI InChI=1S/C23H16FN5O/c24-19-12-14(5-6-17(19)16-11-15-7-9-26-22(15)28-13-16)18-3-1-2-4-20(18)30-21-8-10-27-23(25)29-21/h1-13H,(H,26,28)(H2,25,27,29)
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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))
BDBM169123
PNG
(US9079866, 524 | US9745328, Compound 524 | US98848...)
Show SMILES Nc1ccnc(Oc2ccccc2-c2ccc(c(F)c2)-c2cnc3[nH]ccc3c2)n1
Show InChI InChI=1S/C23H16FN5O/c24-19-12-14(5-6-17(19)16-11-15-7-9-26-22(15)28-13-16)18-3-1-2-4-20(18)30-23-27-10-8-21(25)29-23/h1-13H,(H,26,28)(H2,25,27,29)
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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))
BDBM169134
PNG
(US9079866, 535 | US9745328, Compound 535 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1Oc1cc(N)ncn1
Show InChI InChI=1S/C20H15FN6O/c21-15-7-12(5-6-14(15)16-9-25-19(23)10-24-16)13-3-1-2-4-17(13)28-20-8-18(22)26-11-27-20/h1-11H,(H2,23,25)(H2,22,26,27)
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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))
BDBM169155
PNG
(US9079866, 556 | US9745328, Compound 556 | US98848...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(cc1Oc1nccc(N)n1)C(F)(F)F
Show InChI InChI=1S/C21H14F4N6O/c22-15-7-11(1-3-14(15)16-9-30-19(27)10-29-16)13-4-2-12(21(23,24)25)8-17(13)32-20-28-6-5-18(26)31-20/h1-10H,(H2,27,30)(H2,26,28,31)
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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))
BDBM168991
PNG
(US9079866, 392 | US9745328, Compound 392 | US98848...)
Show SMILES Fc1cc(ccc1-c1cnc2NCCOc2c1)-c1ccccc1S(=O)(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H22FN3O5S2/c24-20-13-16(5-6-18(20)17-14-21-23(26-15-17)25-7-10-32-21)19-3-1-2-4-22(19)34(30,31)27-8-11-33(28,29)12-9-27/h1-6,13-15H,7-12H2,(H,25,26)
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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))
BDBM168992
PNG
(US9079866, 393 | US9745328, Compound 393 | US98848...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2NCCOc2c1
Show InChI InChI=1S/C23H24FN3O3S/c1-23(2,3)27-31(28,29)21-7-5-4-6-18(21)15-8-9-17(19(24)12-15)16-13-20-22(26-14-16)25-10-11-30-20/h4-9,12-14,27H,10-11H2,1-3H3,(H,25,26)
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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))
BDBM169030
PNG
(US9079866, 431 | US9745328, Compound 431 | US98848...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2NCCc2c1
Show InChI InChI=1S/C23H24FN3O2S/c1-23(2,3)27-30(28,29)21-7-5-4-6-19(21)15-8-9-18(20(24)13-15)17-12-16-10-11-25-22(16)26-14-17/h4-9,12-14,27H,10-11H2,1-3H3,(H,25,26)
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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))
BDBM169032
PNG
(US9079866, 433 | US9745328, Compound 433 | US98848...)
Show SMILES COc1nc(cnc1N)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C21H23FN4O3S/c1-21(2,3)26-30(27,28)18-8-6-5-7-14(18)13-9-10-15(16(22)11-13)17-12-24-19(23)20(25-17)29-4/h5-12,26H,1-4H3,(H2,23,24)
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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))
BDBM169033
PNG
(US9079866, 434 | US9745328, Compound 434 | US98848...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)c(n1)C#N
Show InChI InChI=1S/C21H20FN5O2S/c1-21(2,3)27-30(28,29)19-7-5-4-6-14(19)13-8-9-15(16(22)10-13)18-12-25-20(24)17(11-23)26-18/h4-10,12,27H,1-3H3,(H2,24,25)
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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))
BDBM169037
PNG
(US9079866, 438 | US9745328, Compound 438 | US98848...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(N)s2)c(F)c1
Show InChI InChI=1S/C18H19FN4O2S2/c1-18(2,3)23-27(24,25)15-7-5-4-6-12(15)11-8-9-13(14(19)10-11)16-21-22-17(20)26-16/h4-10,23H,1-3H3,(H2,20,22)
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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))
BDBM169040
PNG
(US9079866, 441 | US9745328, Compound 441 | US98848...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)c(Cl)n1
Show InChI InChI=1S/C20H20ClFN4O2S/c1-20(2,3)26-29(27,28)17-7-5-4-6-13(17)12-8-9-14(15(22)10-12)16-11-24-19(23)18(21)25-16/h4-11,26H,1-3H3,(H2,23,24)
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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))
BDBM169041
PNG
(US9079866, 442 | US9745328, Compound 442 | US98848...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)c(Br)n1
Show InChI InChI=1S/C20H20BrFN4O2S/c1-20(2,3)26-29(27,28)17-7-5-4-6-13(17)12-8-9-14(15(22)10-12)16-11-24-19(23)18(21)25-16/h4-11,26H,1-3H3,(H2,23,24)
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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))
BDBM169044
PNG
(US9079866, 445 | US9745328, Compound 445 | US98848...)
Show SMILES Cc1nc(cnc1N)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C21H23FN4O2S/c1-13-20(23)24-12-18(25-13)16-10-9-14(11-17(16)22)15-7-5-6-8-19(15)29(27,28)26-21(2,3)4/h5-12,26H,1-4H3,(H2,23,24)
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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))
BDBM169054
PNG
(US9079866, 455 | US9745328, Compound 455 | US98848...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2[nH]cc(CO)c2c1
Show InChI InChI=1S/C24H24FN3O3S/c1-24(2,3)28-32(30,31)22-7-5-4-6-19(22)15-8-9-18(21(25)11-15)16-10-20-17(14-29)13-27-23(20)26-12-16/h4-13,28-29H,14H2,1-3H3,(H,26,27)
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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))
BDBM168914
PNG
(US9079866, 315 | US9745328, Compound 315 | US98848...)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CC(O)(C1)C(F)(F)F
Show InChI InChI=1S/C20H16F4N4O3S/c21-16-7-12(5-6-14(16)13-8-26-18(25)27-9-13)15-3-1-2-4-17(15)32(30,31)28-10-19(29,11-28)20(22,23)24/h1-9,29H,10-11H2,(H2,25,26,27)
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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))
BDBM168948
PNG
(US9079866, 349 | US9745328, Compound 349 | US98848...)
Show SMILES CCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1ccc(N)nc1
Show InChI InChI=1S/C22H24FN3O2S/c1-4-22(2,3)26-29(27,28)20-8-6-5-7-18(20)15-9-11-17(19(23)13-15)16-10-12-21(24)25-14-16/h5-14,26H,4H2,1-3H3,(H2,24,25)
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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))
BDBM168952
PNG
(US9079866, 353 | US9745328, Compound 353 | US98848...)
Show SMILES CC1(CCC1)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1ccc(N)nc1
Show InChI InChI=1S/C22H22FN3O2S/c1-22(11-4-12-22)26-29(27,28)20-6-3-2-5-18(20)15-7-9-17(19(23)13-15)16-8-10-21(24)25-14-16/h2-3,5-10,13-14,26H,4,11-12H2,1H3,(H2,24,25)
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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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM168961
PNG
(US9079866, 362 | US9884878, Compound 362)
Show SMILES C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc2[nH]ccc2c1 |r|
Show InChI InChI=1/C22H20FN3O3S/c1-14(13-27)26-30(28,29)21-5-3-2-4-19(21)15-6-7-18(20(23)11-15)17-10-16-8-9-24-22(16)25-12-17/h2-12,14,26-27H,13H2,1H3,(H,24,25)/t14-/s2
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9884878 (2018)


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