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Compile Data Set for Download or QSAR

Found 6767 hits with Last Name = 'mcclure' and Initial = 'k'   
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
Flap endonuclease 1


(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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0n/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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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))
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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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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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))
BDBM283677
PNG
(5-[3-Fluoro-2'-(pyrimidin-2-yloxy)-4'- (trifluorom...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(cc1Oc1ncccn1)C(F)(F)F
PDB
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0n/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
Flap endonuclease 1


(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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Janssen Pharmaceutica NV

US Patent




US Patent US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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 US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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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Janssen Pharmaceutica NV

US Patent




US Patent US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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 US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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 US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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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Janssen Pharmaceutica NV

US Patent




US Patent US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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 US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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
PDB
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Janssen Pharmaceutica NV

US Patent




US Patent US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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 US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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 US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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 US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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 US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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 US9745328 (2017)


BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Flap endonuclease 1


(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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0n/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))
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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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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM337621
PNG
(5-{2-Fluoro-4-[2-tetrahydro-2H- pyran-4-ylsulfonyl...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(nc1S(=O)(=O)C1CCOCC1)C(F)(F)F
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0.300n/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
Flap endonuclease 1


(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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0.400n/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))
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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0.400n/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))
BDBM167060
PNG
(US9073876, 146 | US9732093, Compound 146)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cc(N)nc(Cc3ccccc3)n2)c1F
Show InChI InChI=1S/C25H23FN6O/c26-24-18(19-13-30-21(28)14-29-19)10-9-17(16-7-4-8-16)25(24)33-23-12-20(27)31-22(32-23)11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12-14,16H,4,7-8,11H2,(H2,28,30)(H2,27,31,32)
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0.400n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167060
PNG
(US9073876, 146 | US9732093, Compound 146)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cc(N)nc(Cc3ccccc3)n2)c1F
Show InChI InChI=1S/C25H23FN6O/c26-24-18(19-13-30-21(28)14-29-19)10-9-17(16-7-4-8-16)25(24)33-23-12-20(27)31-22(32-23)11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12-14,16H,4,7-8,11H2,(H2,28,30)(H2,27,31,32)
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0.400n/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 US9073876 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NPC
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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0.400n/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))
BDBM167060
PNG
(US9073876, 146 | US9732093, Compound 146)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2cc(N)nc(Cc3ccccc3)n2)c1F
Show InChI InChI=1S/C25H23FN6O/c26-24-18(19-13-30-21(28)14-29-19)10-9-17(16-7-4-8-16)25(24)33-23-12-20(27)31-22(32-23)11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12-14,16H,4,7-8,11H2,(H2,28,30)(H2,27,31,32)
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0.400n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM167191
PNG
(US9073876, 272 | US9732093, Compound 272)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nc(N)c3ccccc3n2)c1F
Show InChI InChI=1S/C22H19FN6O/c23-19-14(17-10-27-18(24)11-26-17)9-8-13(12-4-3-5-12)20(19)30-22-28-16-7-2-1-6-15(16)21(25)29-22/h1-2,6-12H,3-5H2,(H2,24,27)(H2,25,28,29)
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0.5n/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 US9073876 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NPC
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167191
PNG
(US9073876, 272 | US9732093, Compound 272)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nc(N)c3ccccc3n2)c1F
Show InChI InChI=1S/C22H19FN6O/c23-19-14(17-10-27-18(24)11-26-17)9-8-13(12-4-3-5-12)20(19)30-22-28-16-7-2-1-6-15(16)21(25)29-22/h1-2,6-12H,3-5H2,(H2,24,27)(H2,25,28,29)
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0.5n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM167191
PNG
(US9073876, 272 | US9732093, Compound 272)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2nc(N)c3ccccc3n2)c1F
Show InChI InChI=1S/C22H19FN6O/c23-19-14(17-10-27-18(24)11-26-17)9-8-13(12-4-3-5-12)20(19)30-22-28-16-7-2-1-6-15(16)21(25)29-22/h1-2,6-12H,3-5H2,(H2,24,27)(H2,25,28,29)
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JANSSEN PHARMACEUTICA NV

US Patent




US Patent US9732093 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MCX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM337627
PNG
(5-(4-{2-[(1,1-Dioxidotetrahydra-2H- thiopyran-4-yl...)
Show SMILES Nc1cnc(cn1)-c1ccc(cc1F)-c1ccc(nc1S(=O)(=O)C1CCS(=O)(=O)CC1)C(F)(F)F
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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))
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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0.600n/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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
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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0.600n/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
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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0.600n/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
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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0.600n/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))
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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0.600n/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
Flap endonuclease 1


(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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0.600n/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
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