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Compile Data Set for Download or QSAR

Found 8000 hits with Last Name = 'lee' and Initial = 'a'   
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
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
Show InChI InChI=1/C21H16F4N4O2S/c1-12(21(23,24)25)29-32(30,31)19-5-3-2-4-14(19)13-6-7-15(16(22)10-13)18-11-27-20-17(28-18)8-9-26-20/h2-12,29H,1H3,(H,26,27)
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0n/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)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q2H13446
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
Show InChI InChI=1/C23H25FN4O3S/c24-19-11-15(9-10-18(19)21-12-27-23(25)13-26-21)17-6-2-4-8-22(17)32(30,31)28-20-7-3-1-5-16(20)14-29/h2,4,6,8-13,16,20,28-29H,1,3,5,7,14H2,(H2,25,27)/t16-,20+/s2
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0n/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)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1/C22H22FN3O4S/c1-14(13-27)26-31(28,29)21-5-3-2-4-18(21)15-6-7-17(19(23)10-15)16-11-20-22(25-12-16)24-8-9-30-20/h2-7,10-12,14,26-27H,8-9,13H2,1H3,(H,24,25)/t14-/s2
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0n/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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1S/C18H14F4N4O2S/c1-24-29(27,28)16-7-11(18(20,21)22)3-5-12(16)10-2-4-13(14(19)6-10)15-8-26-17(23)9-25-15/h2-9,24H,1H3,(H2,23,26)
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0n/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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1S/C19H16F4N4O3S/c20-15-7-11(1-3-14(15)16-9-26-18(24)10-25-16)13-4-2-12(19(21,22)23)8-17(13)31(29,30)27-5-6-28/h1-4,7-10,27-28H,5-6H2,(H2,24,26)
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0n/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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1S/C22H23FN4O3S/c23-18-11-15(7-8-17(18)19-12-26-21(24)13-25-19)16-5-1-2-6-20(16)31(29,30)27-22(14-28)9-3-4-10-22/h1-2,5-8,11-13,27-28H,3-4,9-10,14H2,(H2,24,26)
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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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1/C25H21FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-11,13-14,22,25,30-31H,12H2,(H2,27,29)/t22-,25+/s2
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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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1/C25H21FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-11,13-14,22,25,30-31H,12H2,(H2,27,29)/t22-,25+/s2
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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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1S/C24H22FN7O2S/c25-20-13-17(5-6-19(20)21-14-30-23(26)15-29-21)18-3-1-2-4-22(18)35(33,34)32-11-9-31(10-12-32)24-16-27-7-8-28-24/h1-8,13-16H,9-12H2,(H2,26,30)
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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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1S/C24H22FN7O2S/c25-20-14-17(6-7-19(20)21-15-30-23(26)16-29-21)18-4-1-2-5-22(18)35(33,34)32-12-10-31(11-13-32)24-27-8-3-9-28-24/h1-9,14-16H,10-13H2,(H2,26,30)
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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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1S/C21H23FN4O3S/c1-21(2,9-10-27)26-30(28,29)19-6-4-3-5-15(19)14-7-8-16(17(22)11-14)18-12-25-20(23)13-24-18/h3-8,11-13,26-27H,9-10H2,1-2H3,(H2,23,25)
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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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1S/C21H23FN4O3S/c1-21(2,13-27)12-26-30(28,29)19-6-4-3-5-15(19)14-7-8-16(17(22)9-14)18-10-25-20(23)11-24-18/h3-11,26-27H,12-13H2,1-2H3,(H2,23,25)
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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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1/C26H25FN4O3S/c1-17(26(32)18-8-4-3-5-9-18)31(2)35(33,34)24-11-7-6-10-20(24)19-12-13-21(22(27)14-19)23-15-30-25(28)16-29-23/h3-17,26,32H,1-2H3,(H2,28,30)/t17-,26+/s2
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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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1/C23H25FN4O3S/c24-19-11-15(9-10-18(19)21-12-27-23(25)13-26-21)17-6-2-4-8-22(17)32(30,31)28-20-7-3-1-5-16(20)14-29/h2,4,6,8-13,16,20,28-29H,1,3,5,7,14H2,(H2,25,27)/t16-,20+/s2
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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)


Article DOI: 10.1021/jm049187l
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
Show InChI InChI=1/C25H21FN4O3S/c26-21-12-16(9-10-20(21)22-13-29-25(27)14-28-22)19-6-2-4-8-24(19)34(32,33)30-18(15-31)11-17-5-1-3-7-23(17)30/h1-10,12-14,18,31H,11,15H2,(H2,27,29)/t18-/s2
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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)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q2H13446
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
Show InChI InChI=1S/C21H13F4N5O/c22-16-8-12(2-4-15(16)17-10-30-19(26)11-29-17)14-5-3-13(21(23,24)25)9-18(14)31-20-27-6-1-7-28-20/h1-11H,(H2,26,30)
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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)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q2H13446
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
Show InChI InChI=1S/C21H13F4N5O/c22-16-8-12(2-4-15(16)17-10-30-19(26)11-29-17)14-5-3-13(21(23,24)25)9-18(14)31-20-27-6-1-7-28-20/h1-11H,(H2,26,30)
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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 US9884878 (2018)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1/C21H16F4N4O2S/c1-12(21(23,24)25)29-32(30,31)19-5-3-2-4-14(19)13-6-7-15(16(22)10-13)18-11-27-20-17(28-18)8-9-26-20/h2-12,29H,1H3,(H,26,27)
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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 US9884878 (2018)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1S/C22H19FN4O4S2/c23-18-13-15(5-6-17(18)20-14-25-22-19(26-20)7-8-24-22)16-3-1-2-4-21(16)33(30,31)27-9-11-32(28,29)12-10-27/h1-8,13-14H,9-12H2,(H,24,25)
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0n/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)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1/C22H22FN3O4S/c1-14(13-27)26-31(28,29)21-5-3-2-4-18(21)15-6-7-17(19(23)10-15)16-11-20-22(25-12-16)24-8-9-30-20/h2-7,10-12,14,26-27H,8-9,13H2,1H3,(H,24,25)/t14-/s2
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0n/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)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1S/C18H14F4N4O2S/c1-24-29(27,28)16-7-11(18(20,21)22)3-5-12(16)10-2-4-13(14(19)6-10)15-8-26-17(23)9-25-15/h2-9,24H,1H3,(H2,23,26)
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0n/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)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1S/C19H16F4N4O3S/c20-15-7-11(1-3-14(15)16-9-26-18(24)10-25-16)13-4-2-12(19(21,22)23)8-17(13)31(29,30)27-5-6-28/h1-4,7-10,27-28H,5-6H2,(H2,24,26)
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0n/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)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1/C25H21FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-11,13-14,22,25,30-31H,12H2,(H2,27,29)/t22-,25+/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 US9884878 (2018)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1/C25H21FN4O3S/c26-20-11-16(9-10-19(20)21-13-29-24(27)14-28-21)17-6-3-4-8-23(17)34(32,33)30-25-18-7-2-1-5-15(18)12-22(25)31/h1-11,13-14,22,25,30-31H,12H2,(H2,27,29)/t22-,25+/s2
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0n/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)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1S/C24H22FN7O2S/c25-20-13-17(5-6-19(20)21-14-30-23(26)15-29-21)18-3-1-2-4-22(18)35(33,34)32-11-9-31(10-12-32)24-16-27-7-8-28-24/h1-8,13-16H,9-12H2,(H2,26,30)
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0n/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)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1S/C24H22FN7O2S/c25-20-14-17(6-7-19(20)21-15-30-23(26)16-29-21)18-4-1-2-5-22(18)35(33,34)32-12-10-31(11-13-32)24-27-8-3-9-28-24/h1-9,14-16H,10-13H2,(H2,26,30)
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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 US9884878 (2018)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1S/C22H23FN4O3S/c23-18-11-15(7-8-17(18)19-12-26-21(24)13-25-19)16-5-1-2-6-20(16)31(29,30)27-22(14-28)9-3-4-10-22/h1-2,5-8,11-13,27-28H,3-4,9-10,14H2,(H2,24,26)
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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 US9884878 (2018)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1/C25H21FN4O3S/c26-21-12-16(9-10-20(21)22-13-29-25(27)14-28-22)19-6-2-4-8-24(19)34(32,33)30-18(15-31)11-17-5-1-3-7-23(17)30/h1-10,12-14,18,31H,11,15H2,(H2,27,29)/t18-/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 US9884878 (2018)


Article DOI: 10.1021/jm060081v
BindingDB Entry DOI: 10.7270/Q2R78H8P
More data for this
Ligand-Target Pair
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
Show InChI InChI=1S/C21H23FN4O3S/c1-21(2,9-10-27)26-30(28,29)19-6-4-3-5-15(19)14-7-8-16(17(22)11-14)18-12-25-20(23)13-24-18/h3-8,11-13,26-27H,9-10H2,1-2H3,(H2,23,25)
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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 US9884878 (2018)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1S/C21H23FN4O3S/c1-21(2,13-27)12-26-30(28,29)19-6-4-3-5-15(19)14-7-8-16(17(22)9-14)18-10-25-20(23)11-24-18/h3-11,26-27H,12-13H2,1-2H3,(H2,23,25)
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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 US9884878 (2018)


Article DOI: 10.1021/jm060081v
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
Show InChI InChI=1/C26H25FN4O3S/c1-17(26(32)18-8-4-3-5-9-18)31(2)35(33,34)24-11-7-6-10-20(24)19-12-13-21(22(27)14-19)23-15-30-25(28)16-29-23/h3-17,26,32H,1-2H3,(H2,28,30)/t17-,26+/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 US9884878 (2018)


Article DOI: 10.1021/jm060081v
BindingDB Entry DOI: 10.7270/Q2R78H8P
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
Show InChI InChI=1S/C22H19FN4O4S2/c23-18-13-15(5-6-17(18)20-14-25-22-19(26-20)7-8-24-22)16-3-1-2-4-21(16)33(30,31)27-9-11-32(28,29)12-10-27/h1-8,13-14H,9-12H2,(H,24,25)
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0n/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)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142111
PNG
(1-{4'-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)...)
Show SMILES OC(=O)C1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H26Cl2N4O4/c32-22-9-11-26(25(17-22)30(39)36-28-12-10-23(33)18-34-28)35-29(38)20-7-5-19(6-8-20)24-3-1-2-4-27(24)37-15-13-21(14-16-37)31(40)41/h1-12,17-18,21H,13-16H2,(H,35,38)(H,40,41)(H,34,36,39)
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0.0120n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50193861
PNG
(5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)
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0.0440n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50249120
PNG
(CHEMBL472967 | N-(4-chloro-2-(5-chloropyridin-2-yl...)
Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C22H18Cl2FN5O2/c1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-4-13(23)10-16(18)22(32)29-19-8-5-14(24)11-27-19/h3-11,26H,1-2H3,(H,28,31)(H,27,29,32)
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0.0600n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50142090
PNG
(2'-(N,N-Dimethyl-carbamimidoyl)-biphenyl-4-carboxy...)
Show SMILES CN(C)C(=N)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-35(2)26(31)22-6-4-3-5-21(22)17-7-9-18(10-8-17)27(36)33-24-13-11-19(29)15-23(24)28(37)34-25-14-12-20(30)16-32-25/h3-16,31H,1-2H3,(H,33,36)(H,32,34,37)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142125
PNG
(2'-(Acetimidoylamino-methyl)-biphenyl-4-carboxylic...)
Show SMILES CC(N)=NCc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-17(31)32-15-20-4-2-3-5-23(20)18-6-8-19(9-7-18)27(36)34-25-12-10-21(29)14-24(25)28(37)35-26-13-11-22(30)16-33-26/h2-14,16H,15H2,1H3,(H2,31,32)(H,34,36)(H,33,35,37)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142112
PNG
(2'-Dimethylamino-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES CN(C)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N4O2/c1-33(2)24-6-4-3-5-21(24)17-7-9-18(10-8-17)26(34)31-23-13-11-19(28)15-22(23)27(35)32-25-14-12-20(29)16-30-25/h3-16H,1-2H3,(H,31,34)(H,30,32,35)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142139
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[(N-methyl...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(N)=N
Show InChI InChI=1S/C22H20Cl2N6O2/c1-30(22(25)26)12-13-2-4-14(5-3-13)20(31)28-18-8-6-15(23)10-17(18)21(32)29-19-9-7-16(24)11-27-19/h2-11H,12H2,1H3,(H3,25,26)(H,28,31)(H,27,29,32)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50249423
PNG
(CHEMBL515919 | N-(2-(5-chloropyridin-2-ylcarbamoyl...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H21ClFN5O3/c1-30(2)21(26)13-4-7-16(18(25)10-13)22(31)28-19-8-6-15(33-3)11-17(19)23(32)29-20-9-5-14(24)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)
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0.105n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50249298
PNG
(BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
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0.117n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142169
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N'-dime...)
Show SMILES CNC(=N)N(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N6O2/c1-27-23(26)31(2)13-14-3-5-15(6-4-14)21(32)29-19-9-7-16(24)11-18(19)22(33)30-20-10-8-17(25)12-28-20/h3-12H,13H2,1-2H3,(H2,26,27)(H,29,32)(H,28,30,33)
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0.200n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142118
PNG
(2'-Amino-biphenyl-4-carboxylic acid [4-chloro-2-(5...)
Show SMILES Nc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H18Cl2N4O2/c26-17-9-11-22(20(13-17)25(33)31-23-12-10-18(27)14-29-23)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-21(19)28/h1-14H,28H2,(H,30,32)(H,29,31,33)
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0.200n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142129
PNG
(2'-(4-Hydroxy-piperidin-1-yl)-biphenyl-4-carboxyli...)
Show SMILES OC1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C30H26Cl2N4O3/c31-21-9-11-26(25(17-21)30(39)35-28-12-10-22(32)18-33-28)34-29(38)20-7-5-19(6-8-20)24-3-1-2-4-27(24)36-15-13-23(37)14-16-36/h1-12,17-18,23,37H,13-16H2,(H,34,38)(H,33,35,39)
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0.200n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50180206
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin...)
Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12
Show InChI InChI=1S/C12H15ClN6O3S/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18)/t5-,6+,7-,11+/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells


J Med Chem 49: 273-81 (2006)


Article DOI: 10.1021/jm050595e
BindingDB Entry DOI: 10.7270/Q2736QG2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142161
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[methyl-(...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCN1C
Show InChI InChI=1S/C25H24Cl2N6O2/c1-32-12-11-28-25(32)33(2)15-16-3-5-17(6-4-16)23(34)30-21-9-7-18(26)13-20(21)24(35)31-22-10-8-19(27)14-29-22/h3-10,13-14H,11-12,15H2,1-2H3,(H,30,34)(H,29,31,35)
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0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142126
PNG
(2'-Guanidinomethyl-biphenyl-4-carboxylic acid [4-c...)
Show SMILES NC(N)=NCc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N6O2/c28-19-9-11-23(22(13-19)26(37)35-24-12-10-20(29)15-32-24)34-25(36)17-7-5-16(6-8-17)21-4-2-1-3-18(21)14-33-27(30)31/h1-13,15H,14H2,(H,34,36)(H4,30,31,33)(H,32,35,37)
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0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142142
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N',N'-dim...)
Show SMILES CN(C)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H21Cl2N5O2/c1-29(2)26-12-14-3-5-15(6-4-14)21(30)27-19-9-7-16(23)11-18(19)22(31)28-20-10-8-17(24)13-25-20/h3-11,13,26H,12H2,1-2H3,(H,27,30)(H,25,28,31)
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0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
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
Show InChI InChI=1S/C21H18F4N4O3S/c22-16-9-12(1-2-15(16)17-10-28-19(26)11-27-17)14-3-4-18(21(23,24)25)29-20(14)33(30,31)13-5-7-32-8-6-13/h1-4,9-11,13H,5-8H2,(H2,26,28)
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US Patent
0.300n/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)


Article DOI: 10.1021/jm049187l
BindingDB Entry DOI: 10.7270/Q2H13446
More data for this
Ligand-Target Pair
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