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Found 70 hits Enz. Inhib. hit(s) with Target = '1,5-anhydro-D-fructose reductase'   
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
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM50119580
PNG
(CHEMBL3617741 | US9718813, Compound 1)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C28H30N4O2/c1-28(2)27(34)32(17-18-12-14-31(16-18)26(33)21-7-8-21)25(30-28)20-5-3-19(4-6-20)22-9-10-24-23(15-22)11-13-29-24/h3-6,9-11,13,15,18,21,29H,7-8,12,14,16-17H2,1-2H3/t18-/m1/s1
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n/an/a 138n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM268608
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC(C)(C)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1
Show InChI InChI=1S/C28H31N5O2/c1-28(2)27(35)33(17-18-12-13-32(16-18)26(34)21-8-9-21)25(30-28)20-6-4-19(5-7-20)22-10-11-24-23(14-22)15-29-31(24)3/h4-7,10-11,14-15,18,21H,8-9,12-13,16-17H2,1-3H3/t18-/m1/s1
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n/an/a 708n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM268661
PNG
((R)-2-(4-(benzofuran-5-yl)phenyl)-1-((1-(cycloprop...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2occc2c1
Show InChI InChI=1S/C28H29N3O3/c1-28(2)27(33)31(17-18-11-13-30(16-18)26(32)21-7-8-21)25(29-28)20-5-3-19(4-6-20)22-9-10-24-23(15-22)12-14-34-24/h3-6,9-10,12,14-15,18,21H,7-8,11,13,16-17H2,1-2H3/t18-/m1/s1
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n/an/a 468n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM268735
PNG
((R)-2-(4-(benzofuran-5-yl)phenyl)-1-((1-(1-fluoroc...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2(F)CC2)C1=O)c1ccc(cc1)-c1ccc2occc2c1
Show InChI InChI=1S/C28H28FN3O3/c1-27(2)25(33)32(17-18-9-13-31(16-18)26(34)28(29)11-12-28)24(30-27)20-5-3-19(4-6-20)21-7-8-23-22(15-21)10-14-35-23/h3-8,10,14-15,18H,9,11-13,16-17H2,1-2H3/t18-/m1/s1
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n/an/a 603n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM268738
PNG
((4RS)-2-(4-(Benzofuran-5-yl)phenyl)-1-(((R)-1-(cyc...)
Show SMILES CC1(N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2occc2c1)c1ccccc1
Show InChI InChI=1S/C33H31N3O3/c1-33(28-5-3-2-4-6-28)32(38)36(21-22-15-17-35(20-22)31(37)25-11-12-25)30(34-33)24-9-7-23(8-10-24)26-13-14-29-27(19-26)16-18-39-29/h2-10,13-14,16,18-19,22,25H,11-12,15,17,20-21H2,1H3/t22-,33?/m1/s1
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n/an/a 537n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM268883
PNG
((4RS)-1-(((R)-1-(cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC(C)(C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)c1ccccc1
Show InChI InChI=1S/C33H33N5O2/c1-33(28-6-4-3-5-7-28)32(40)38(21-22-16-17-37(20-22)31(39)25-12-13-25)30(35-33)24-10-8-23(9-11-24)26-14-15-29-27(18-26)19-34-36(29)2/h3-11,14-15,18-19,22,25H,12-13,16-17,20-21H2,1-2H3/t22-,33?/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM268885
PNG
((4RS)-2-(4-(1H-Indol-5-yl)phenyl)-1-(((R)-1-(cyclo...)
Show SMILES CC1(N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C33H32N4O2/c1-33(28-5-3-2-4-6-28)32(39)37(21-22-16-18-36(20-22)31(38)25-11-12-25)30(35-33)24-9-7-23(8-10-24)26-13-14-29-27(19-26)15-17-34-29/h2-10,13-15,17,19,22,25,34H,11-12,16,18,20-21H2,1H3/t22-,33?/m1/s1
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n/an/a 129n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269076
PNG
((4RS)-2-(4-(Benzofuran-5-yl)phenyl)-1-(((R)-1-(cyc...)
Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2occc2c1
Show InChI InChI=1S/C29H31N3O4/c1-29(18-35-2)28(34)32(17-19-11-13-31(16-19)27(33)22-7-8-22)26(30-29)21-5-3-20(4-6-21)23-9-10-25-24(15-23)12-14-36-25/h3-6,9-10,12,14-15,19,22H,7-8,11,13,16-18H2,1-2H3/t19-,29?/m1/s1
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n/an/a 389n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269264
PNG
((4RS)-2-(4-(Benzofuran-5-yl)phenyl)-1-(((R)-1-(cyc...)
Show SMILES CC1(N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2occc2c1)C1CC1
Show InChI InChI=1S/C30H31N3O3/c1-30(25-9-10-25)29(35)33(18-19-12-14-32(17-19)28(34)22-6-7-22)27(31-30)21-4-2-20(3-5-21)23-8-11-26-24(16-23)13-15-36-26/h2-5,8,11,13,15-16,19,22,25H,6-7,9-10,12,14,17-18H2,1H3/t19-,30?/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269265
PNG
((4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C29H33N5O3/c1-29(18-37-3)28(36)34(17-19-12-13-33(16-19)27(35)22-8-9-22)26(31-29)21-6-4-20(5-7-21)23-10-11-25-24(14-23)15-30-32(25)2/h4-7,10-11,14-15,19,22H,8-9,12-13,16-18H2,1-3H3/t19-,29?/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269266
PNG
((R)-2-(4-(benzo[d]oxazol-2-yl)phenyl)-1-((1-(cyclo...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C27H28N4O3/c1-27(2)26(33)31(16-17-13-14-30(15-17)25(32)20-11-12-20)23(29-27)18-7-9-19(10-8-18)24-28-21-5-3-4-6-22(21)34-24/h3-10,17,20H,11-16H2,1-2H3/t17-/m1/s1
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n/an/a 3.89E+3n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269268
PNG
((R)-2-(4-(benzo[d]thiazol-2-yl)phenyl)-1-((1-(cycl...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C27H28N4O2S/c1-27(2)26(33)31(16-17-13-14-30(15-17)25(32)20-11-12-20)23(29-27)18-7-9-19(10-8-18)24-28-21-5-3-4-6-22(21)34-24/h3-10,17,20H,11-16H2,1-2H3/t17-/m1/s1
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n/an/a 1.15E+3n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269270
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C31H32N4O2/c1-31(2)30(37)35(20-21-15-18-34(19-21)29(36)27-11-12-27)28(33-31)26-9-7-23(8-10-26)22-3-5-24(6-4-22)25-13-16-32-17-14-25/h3-10,13-14,16-17,21,27H,11-12,15,18-20H2,1-2H3/t21-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269271
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC(C)(C)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1
Show InChI InChI=1S/C30H33N5O2/c1-30(2)29(37)35(18-20-14-15-34(17-20)28(36)25-12-13-25)27(32-30)24-10-8-22(9-11-24)21-4-6-23(7-5-21)26-16-31-33(3)19-26/h4-11,16,19-20,25H,12-15,17-18H2,1-3H3/t20-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269272
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1CC1
Show InChI InChI=1S/C29H31N5O2/c1-29(2)28(36)34(17-19-15-33(16-19)27(35)24-12-13-24)26(31-29)23-10-8-21(9-11-23)20-4-6-22(7-5-20)25-14-30-32(3)18-25/h4-11,14,18-19,24H,12-13,15-17H2,1-3H3
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n/an/a 2.69E+3n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269277
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C30H29FN4O2/c1-30(2)29(37)35(18-19-16-34(17-19)28(36)23-7-8-23)27(33-30)25-10-9-24(15-26(25)31)21-5-3-20(4-6-21)22-11-13-32-14-12-22/h3-6,9-15,19,23H,7-8,16-18H2,1-2H3
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n/an/a 269n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM50119581
PNG
(CHEMBL3617742 | US9718813, Compound 23)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccnc2c1
Show InChI InChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-13-15-32(17-19)27(34)23-10-11-23)26(31-29)22-8-5-20(6-9-22)24-12-7-21-4-3-14-30-25(21)16-24/h3-9,12,14,16,19,23H,10-11,13,15,17-18H2,1-2H3/t19-/m1/s1
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n/an/a 56.2n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269279
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccnc2c1
Show InChI InChI=1S/C28H28N4O2/c1-28(2)27(34)32(17-18-15-31(16-18)26(33)22-10-11-22)25(30-28)21-8-5-19(6-9-21)23-12-7-20-4-3-13-29-24(20)14-23/h3-9,12-14,18,22H,10-11,15-17H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269280
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-13-14-32(17-19)27(34)22-11-12-22)26(31-29)21-9-7-20(8-10-21)24-15-23-5-3-4-6-25(23)30-16-24/h3-10,15-16,19,22H,11-14,17-18H2,1-2H3/t19-/m1/s1
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n/an/a 676n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269281
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C30H30N4O2/c1-30(2)29(36)34(19-20-17-33(18-20)28(35)26-11-12-26)27(32-30)25-9-7-22(8-10-25)21-3-5-23(6-4-21)24-13-15-31-16-14-24/h3-10,13-16,20,26H,11-12,17-19H2,1-2H3
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n/an/a 832n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269282
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cnccc2c1
Show InChI InChI=1S/C28H28N4O2/c1-28(2)27(34)32(17-18-15-31(16-18)26(33)21-7-8-21)25(30-28)20-5-3-19(4-6-20)22-9-10-24-14-29-12-11-23(24)13-22/h3-6,9-14,18,21H,7-8,15-17H2,1-2H3
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n/an/a 389n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269283
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cnccc2c1
Show InChI InChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-12-14-32(17-19)27(34)22-7-8-22)26(31-29)21-5-3-20(4-6-21)23-9-10-25-16-30-13-11-24(25)15-23/h3-6,9-11,13,15-16,19,22H,7-8,12,14,17-18H2,1-2H3/t19-/m1/s1
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n/an/a 72.4n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269284
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C29H28FN3O2/c1-29(2)28(35)33(17-18-15-32(16-18)27(34)21-7-8-21)26(31-29)20-5-3-19(4-6-20)22-9-10-24-14-25(30)12-11-23(24)13-22/h3-6,9-14,18,21H,7-8,15-17H2,1-2H3
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n/an/a 240n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269285
PNG
((R)-1((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)met...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C30H30FN3O2/c1-30(2)29(36)34(18-19-13-14-33(17-19)28(35)22-7-8-22)27(32-30)21-5-3-20(4-6-21)23-9-10-25-16-26(31)12-11-24(25)15-23/h3-6,9-12,15-16,19,22H,7-8,13-14,17-18H2,1-2H3/t19-/m1/s1
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n/an/a 67.6n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269286
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-14-16-32(17-19)27(34)22-12-13-22)26(31-29)21-10-8-20(9-11-21)23-5-3-7-25-24(23)6-4-15-30-25/h3-11,15,19,22H,12-14,16-18H2,1-2H3/t19-/m1/s1
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n/an/a 468n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269287
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2CC2CN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C27H28FN5O2/c1-27(2)26(35)33(15-16-13-32(14-16)25(34)17-4-5-17)24(30-27)21-8-6-19(11-22(21)28)18-7-9-23-20(10-18)12-29-31(23)3/h6-12,16-17H,4-5,13-15H2,1-3H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269288
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2CC2CN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C29H30FN5O2/c1-29(2)28(37)35(16-18-14-34(15-18)27(36)21-8-9-21)26(32-29)24-11-10-22(12-25(24)30)19-4-6-20(7-5-19)23-13-31-33(3)17-23/h4-7,10-13,17-18,21H,8-9,14-16H2,1-3H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269289
PNG
(2-(4-(benzo[d]thiazol-2-yl)-2-fluorophenyl)-1-((1-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1nc2ccccc2s1
Show InChI InChI=1S/C26H25FN4O2S/c1-26(2)25(33)31(14-15-12-30(13-15)24(32)16-7-8-16)22(29-26)18-10-9-17(11-19(18)27)23-28-20-5-3-4-6-21(20)34-23/h3-6,9-11,15-16H,7-8,12-14H2,1-2H3
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n/an/a 1.12E+3n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269294
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cccnc2c1
Show InChI InChI=1S/C28H27FN4O2/c1-28(2)27(35)33(16-17-14-32(15-17)26(34)19-6-7-19)25(31-28)22-10-9-20(12-23(22)29)21-8-5-18-4-3-11-30-24(18)13-21/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3
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n/an/a 155n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM50119582
PNG
(CHEMBL3617743 | US9718813, Compound 40)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C29H28FN3O2/c1-29(2)28(35)33(17-18-15-32(16-18)27(34)22-11-12-22)26(31-29)21-9-6-19(7-10-21)23-13-8-20-4-3-5-25(30)24(20)14-23/h3-10,13-14,18,22H,11-12,15-17H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269296
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C30H30FN3O2/c1-30(2)29(36)34(18-19-14-15-33(17-19)28(35)23-11-12-23)27(32-30)22-9-6-20(7-10-22)24-13-8-21-4-3-5-26(31)25(21)16-24/h3-10,13,16,19,23H,11-12,14-15,17-18H2,1-2H3/t19-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269297
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cncnc2c1
Show InChI InChI=1S/C28H29N5O2/c1-28(2)27(35)33(16-18-11-12-32(15-18)26(34)21-7-8-21)25(31-28)20-5-3-19(4-6-20)22-9-10-23-14-29-17-30-24(23)13-22/h3-6,9-10,13-14,17-18,21H,7-8,11-12,15-16H2,1-2H3/t18-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269298
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cncnc2c1
Show InChI InChI=1S/C27H26FN5O2/c1-27(2)26(35)33(14-16-12-32(13-16)25(34)17-3-4-17)24(31-27)21-8-7-18(9-22(21)28)19-5-6-20-11-29-15-30-23(20)10-19/h5-11,15-17H,3-4,12-14H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269299
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cncnc2c1
Show InChI InChI=1S/C28H28FN5O2/c1-28(2)27(36)34(15-17-9-10-33(14-17)26(35)18-3-4-18)25(32-28)22-8-7-19(11-23(22)29)20-5-6-21-13-30-16-31-24(21)12-20/h5-8,11-13,16-18H,3-4,9-10,14-15H2,1-2H3/t17-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269300
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C30H32FN5O2/c1-30(2)29(38)36(17-19-12-13-35(16-19)28(37)22-8-9-22)27(33-30)25-11-10-23(14-26(25)31)20-4-6-21(7-5-20)24-15-32-34(3)18-24/h4-7,10-11,14-15,18-19,22H,8-9,12-13,16-17H2,1-3H3/t19-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269301
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C31H31FN4O2/c1-31(2)30(38)36(19-20-13-16-35(18-20)29(37)24-7-8-24)28(34-31)26-10-9-25(17-27(26)32)22-5-3-21(4-6-22)23-11-14-33-15-12-23/h3-6,9-12,14-15,17,20,24H,7-8,13,16,18-19H2,1-2H3/t20-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269302
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1cccc2ncccc12
Show InChI InChI=1S/C29H29FN4O2/c1-29(2)28(36)34(17-18-12-14-33(16-18)27(35)19-8-9-19)26(32-29)23-11-10-20(15-24(23)30)21-5-3-7-25-22(21)6-4-13-31-25/h3-7,10-11,13,15,18-19H,8-9,12,14,16-17H2,1-2H3/t18-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269303
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1cnc2ccccc2c1
Show InChI InChI=1S/C29H29FN4O2/c1-29(2)28(36)34(17-18-11-12-33(16-18)27(35)19-7-8-19)26(32-29)23-10-9-20(14-24(23)30)22-13-21-5-3-4-6-25(21)31-15-22/h3-6,9-10,13-15,18-19H,7-8,11-12,16-17H2,1-2H3/t18-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269304
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cccnc2c1
Show InChI InChI=1S/C29H29FN4O2/c1-29(2)28(36)34(17-18-11-13-33(16-18)27(35)20-6-7-20)26(32-29)23-10-9-21(14-24(23)30)22-8-5-19-4-3-12-31-25(19)15-22/h3-5,8-10,12,14-15,18,20H,6-7,11,13,16-17H2,1-2H3/t18-/m1/s1
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n/an/a 63.1n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269305
PNG
((R)-2-(4-(benzo[d]thiazol-2-yl)-2-fluorophenyl)-1-...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1nc2ccccc2s1
Show InChI InChI=1S/C27H27FN4O2S/c1-27(2)26(34)32(15-16-11-12-31(14-16)25(33)17-7-8-17)23(30-27)19-10-9-18(13-20(19)28)24-29-21-5-3-4-6-22(21)35-24/h3-6,9-10,13,16-17H,7-8,11-12,14-15H2,1-2H3/t16-/m1/s1
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n/an/a 355n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269306
PNG
((R)-2-(4-(benzo[d]oxazol-2-yl)-2-fluorophenyl)-1-(...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1nc2ccccc2o1
Show InChI InChI=1S/C27H27FN4O3/c1-27(2)26(34)32(15-16-11-12-31(14-16)25(33)17-7-8-17)23(30-27)19-10-9-18(13-20(19)28)24-29-21-5-3-4-6-22(21)35-24/h3-6,9-10,13,16-17H,7-8,11-12,14-15H2,1-2H3/t16-/m1/s1
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n/an/a 437n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269307
PNG
(2-(4-(benzo[d]oxazol-2-yl)-2-fluorophenyl)-1-((1-(...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1nc2ccccc2o1
Show InChI InChI=1S/C26H25FN4O3/c1-26(2)25(33)31(14-15-12-30(13-15)24(32)16-7-8-16)22(29-26)18-10-9-17(11-19(18)27)23-28-20-5-3-4-6-21(20)34-23/h3-6,9-11,15-16H,7-8,12-14H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM50119583
PNG
(CHEMBL3617744 | US9718813, Compound 53)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C28H30FN5O2/c1-28(2)27(36)34(16-17-10-11-33(15-17)26(35)18-4-5-18)25(31-28)22-8-6-20(13-23(22)29)19-7-9-24-21(12-19)14-30-32(24)3/h6-9,12-14,17-18H,4-5,10-11,15-16H2,1-3H3/t17-/m1/s1
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n/an/a 324n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269309
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C29H27F2N3O2/c1-29(2)28(36)34(16-17-14-33(15-17)27(35)18-3-4-18)26(32-29)24-10-8-22(13-25(24)31)19-5-6-21-12-23(30)9-7-20(21)11-19/h5-13,17-18H,3-4,14-16H2,1-2H3
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n/an/a 282n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269310
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C29H27F2N3O2/c1-29(2)28(36)34(16-17-14-33(15-17)27(35)19-7-8-19)26(32-29)22-11-10-21(13-25(22)31)20-9-6-18-4-3-5-24(30)23(18)12-20/h3-6,9-13,17,19H,7-8,14-16H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269311
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cnccc2c1
Show InChI InChI=1S/C28H27FN4O2/c1-28(2)27(35)33(16-17-14-32(15-17)26(34)18-3-4-18)25(31-28)23-8-7-20(12-24(23)29)19-5-6-22-13-30-10-9-21(22)11-19/h5-13,17-18H,3-4,14-16H2,1-2H3
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n/an/a 468n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269312
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(CC2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C27H28FN5O2/c1-27(2)26(35)33(15-16-11-12-32(14-16)25(34)17-7-8-17)24(29-27)19-10-9-18(13-21(19)28)23-20-5-3-4-6-22(20)30-31-23/h3-6,9-10,13,16-17H,7-8,11-12,14-15H2,1-2H3,(H,30,31)
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n/an/a 2.75E+3n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269316
PNG
((R)-2-(4-(1H-benzo[d]imidazol-2-yl)-2-fluorophenyl...)
Show SMILES CC1(C)N=C(N(CC2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H28FN5O2/c1-27(2)26(35)33(15-16-11-12-32(14-16)25(34)17-7-8-17)24(31-27)19-10-9-18(13-20(19)28)23-29-21-5-3-4-6-22(21)30-23/h3-6,9-10,13,16-17H,7-8,11-12,14-15H2,1-2H3,(H,29,30)
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n/an/a 1.82E+3n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269317
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H27FN4O2/c1-27(2)26(34)32(15-16-13-31(14-16)25(33)17-7-8-17)24(30-27)20-10-9-18(11-22(20)28)21-12-29-23-6-4-3-5-19(21)23/h3-6,9-12,16-17,29H,7-8,13-15H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269318
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(CC2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H29FN4O2/c1-28(2)27(35)33(16-17-11-12-32(15-17)26(34)18-7-8-18)25(31-28)21-10-9-19(13-23(21)29)22-14-30-24-6-4-3-5-20(22)24/h3-6,9-10,13-14,17-18,30H,7-8,11-12,15-16H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
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