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Compile Data Set for Download or QSAR

Found 70 hits of ic50 data for polymerid = 431   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
1,5-anhydro-D-fructose reductase


(Homo sapiens (Human))
BDBM269341
PNG
((R)-2-(4-(6-fluoronaphthalen-2-yl)-2-methylphenyl)...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1(C)CC1)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C32H34FN3O2/c1-20-15-22(23-5-6-25-17-26(33)9-7-24(25)16-23)8-10-27(20)28-34-31(2,3)29(37)36(28)19-21-11-14-35(18-21)30(38)32(4)12-13-32/h5-10,15-17,21H,11-14,18-19H2,1-4H3/t21-/m1/s1
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n/an/a 25.1n/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))
BDBM269329
PNG
((R)-2-(3-fluoro-4'-(1-methyl-1H-pyrazol-4-yl)-[1,1...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2(C)CC2)c(F)c1
Show InChI InChI=1S/C31H34FN5O2/c1-30(2)28(38)37(18-20-11-14-36(17-20)29(39)31(3)12-13-31)27(34-30)25-10-9-23(15-26(25)32)21-5-7-22(8-6-21)24-16-33-35(4)19-24/h5-10,15-16,19-20H,11-14,17-18H2,1-4H3/t20-/m1/s1
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n/an/a 41.7n/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))
BDBM269323
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)-c1ccc2cnccc2c1
Show InChI InChI=1S/C29H29FN4O2/c1-29(2)28(36)34(17-18-10-12-33(16-18)27(35)19-3-4-19)26(32-29)24-8-7-21(14-25(24)30)20-5-6-23-15-31-11-9-22(23)13-20/h5-9,11,13-15,18-19H,3-4,10,12,16-17H2,1-2H3
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n/an/a 47.9n/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))
BDBM269337
PNG
(2-(4-(6-fluoronaphthalen-2-yl)-2-methylphenyl)-4,4...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C31H32FN3O2/c1-19-13-21(22-5-6-24-15-25(32)9-7-23(24)14-22)8-10-26(19)27-33-30(2,3)28(36)35(27)18-20-16-34(17-20)29(37)31(4)11-12-31/h5-10,13-15,20H,11-12,16-18H2,1-4H3
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n/an/a 50.1n/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))
BDBM269321
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)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C30H29F2N3O2/c1-30(2)29(37)35(17-18-11-12-34(16-18)28(36)19-3-4-19)27(33-30)25-10-8-23(15-26(25)32)20-5-6-22-14-24(31)9-7-21(22)13-20/h5-10,13-15,18-19H,3-4,11-12,16-17H2,1-2H3
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n/an/a 52.5n/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))
BDBM269322
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)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C30H29F2N3O2/c1-30(2)29(37)35(17-18-12-13-34(16-18)28(36)20-7-8-20)27(33-30)23-11-10-22(15-26(23)32)21-9-6-19-4-3-5-25(31)24(19)14-21/h3-6,9-11,14-15,18,20H,7-8,12-13,16-17H2,1-2H3
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n/an/a 53.7n/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))
BDBM269339
PNG
((R)-4,4-dimethyl-2-(3-methyl-4'-(1-methyl-1H-pyraz...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1(C)CC1)-c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C32H37N5O2/c1-21-16-25(23-6-8-24(9-7-23)26-17-33-35(5)20-26)10-11-27(21)28-34-31(2,3)29(38)37(28)19-22-12-15-36(18-22)30(39)32(4)13-14-32/h6-11,16-17,20,22H,12-15,18-19H2,1-5H3/t22-/m1/s1
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n/an/a 53.7n/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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US Patent
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))
BDBM269327
PNG
(2-(2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl)-4,4...)
Show SMILES CC1(CC1)C(=O)N1CC(CN2C(=O)C(C)(C)N=C2c2ccc(cc2F)-c2ccc3cc(F)ccc3c2)C1
Show InChI InChI=1S/C30H29F2N3O2/c1-29(2)27(36)35(17-18-15-34(16-18)28(37)30(3)10-11-30)26(33-29)24-9-7-22(14-25(24)32)19-4-5-21-13-23(31)8-6-20(21)12-19/h4-9,12-14,18H,10-11,15-17H2,1-3H3
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n/an/a 58.9n/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))
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))
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))
BDBM269328
PNG
((R)-2-(2-fluoro-4-(1-methyl-1H-indazol-5-yl)phenyl...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2(C)CC2)c(F)c1
Show InChI InChI=1S/C29H32FN5O2/c1-28(2)26(36)35(17-18-9-12-34(16-18)27(37)29(3)10-11-29)25(32-28)22-7-5-20(14-23(22)30)19-6-8-24-21(13-19)15-31-33(24)4/h5-8,13-15,18H,9-12,16-17H2,1-4H3/t18-/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))
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))
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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n/an/a 74.1n/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))
BDBM269342
PNG
(4,4-dimethyl-2-(3-methyl-4'-(1-methyl-1H-pyrazol-4...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C31H35N5O2/c1-20-14-24(22-6-8-23(9-7-22)25-15-32-34(5)19-25)10-11-26(20)27-33-30(2,3)28(37)36(27)18-21-16-35(17-21)29(38)31(4)12-13-31/h6-11,14-15,19,21H,12-13,16-18H2,1-5H3
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n/an/a 87.1n/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))
BDBM269325
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)C2(C)CC2)c(F)c1
Show InChI InChI=1S/C30H32FN5O2/c1-29(2)27(37)36(17-19-15-35(16-19)28(38)30(3)11-12-30)26(33-29)24-10-9-22(13-25(24)31)20-5-7-21(8-6-20)23-14-32-34(4)18-23/h5-10,13-14,18-19H,11-12,15-17H2,1-4H3
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n/an/a 107n/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))
BDBM269335
PNG
((R)-4,4-dimethyl-2-(2-methyl-4-(1-methyl-1H-indazo...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1(C)CC1)-c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C30H35N5O2/c1-19-14-21(22-7-9-25-23(15-22)16-31-33(25)5)6-8-24(19)26-32-29(2,3)27(36)35(26)18-20-10-13-34(17-20)28(37)30(4)11-12-30/h6-9,14-16,20H,10-13,17-18H2,1-5H3/t20-/m1/s1
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n/an/a 110n/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))
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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n/an/a 112n/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))
BDBM269334
PNG
(2-(2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl)-1-(...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2(O)CC2)C1=O)c1ccc(cc1F)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C29H27F2N3O3/c1-28(2)26(35)34(16-17-14-33(15-17)27(36)29(37)9-10-29)25(32-28)23-8-6-21(13-24(23)31)18-3-4-20-12-22(30)7-5-19(20)11-18/h3-8,11-13,17,37H,9-10,14-16H2,1-2H3
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n/an/a 120n/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))
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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n/an/a 126n/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))
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))
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))
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))
BDBM269340
PNG
((R)-4,4-dimethyl-2-(2-methyl-4-(1-methyl-1H-benzo[...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1(C)CC1)-c1ccc2n(C)cnc2c1
Show InChI InChI=1S/C30H35N5O2/c1-19-14-21(22-7-9-25-24(15-22)31-18-33(25)5)6-8-23(19)26-32-29(2,3)27(36)35(26)17-20-10-13-34(16-20)28(37)30(4)11-12-30/h6-9,14-15,18,20H,10-13,16-17H2,1-5H3/t20-/m1/s1
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n/an/a 158n/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))
BDBM269338
PNG
(4,4-dimethyl-2-(2-methyl-4-(1-methyl-1H-benzo[d]im...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2n(C)cnc2c1
Show InChI InChI=1S/C29H33N5O2/c1-18-12-20(21-7-9-24-23(13-21)30-17-32(24)5)6-8-22(18)25-31-28(2,3)26(35)34(25)16-19-14-33(15-19)27(36)29(4)10-11-29/h6-9,12-13,17,19H,10-11,14-16H2,1-5H3
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n/an/a 174n/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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n/an/a 178n/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))
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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n/an/a 186n/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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n/an/a 214n/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))
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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n/an/a 224n/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))
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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n/an/a 251n/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))
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))
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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n/an/a 302n/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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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))
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))
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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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))
BDBM269332
PNG
(4,4-dimethyl-2-(2-methyl-4-(1-methyl-1H-indazol-5-...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C29H33N5O2/c1-18-12-20(21-7-9-24-22(13-21)14-30-32(24)5)6-8-23(18)25-31-28(2,3)26(35)34(25)17-19-15-33(16-19)27(36)29(4)10-11-29/h6-9,12-14,19H,10-11,15-17H2,1-5H3
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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))
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))
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))
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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n/an/a 417n/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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n/an/a 417n/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))
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))
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))
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))
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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n/an/a 479n/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))
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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n/an/a 550n/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
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