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Patent code US10889564

Compile Data Set for Download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477604
PNG
((R)óN-(1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C22H24N4O2/c1-14-7-2-4-10-18(14)26-19-11-6-9-17(16(19)13-23-26)24-22(27)21-15-8-3-5-12-20(15)28-25-21/h2,4,7,10,13,17H,3,5-6,8-9,11-12H2,1H3,(H,24,27)/t17-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477601
PNG
(N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Cc1cccc(c1C)-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C23H26N4O2/c1-14-7-5-10-19(15(14)2)27-20-11-6-9-18(17(20)13-24-27)25-23(28)22-16-8-3-4-12-21(16)29-26-22/h5,7,10,13,18H,3-4,6,8-9,11-12H2,1-2H3,(H,25,28)
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n/an/a 4n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477599
PNG
(N-[1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Cc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C22H24N4O2/c1-14-7-2-4-10-18(14)26-19-11-6-9-17(16(19)13-23-26)24-22(27)21-15-8-3-5-12-20(15)28-25-21/h2,4,7,10,13,17H,3,5-6,8-9,11-12H2,1H3,(H,24,27)
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n/an/a 5n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477616
PNG
((R)óN-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ncn2CCCCc12
Show InChI InChI=1S/C21H22FN5O/c22-15-6-1-2-8-18(15)27-17-10-5-7-16(14(17)12-24-27)25-21(28)20-19-9-3-4-11-26(19)13-23-20/h1-2,6,8,12-13,16H,3-5,7,9-11H2,(H,25,28)/t16-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477618
PNG
((R)óN-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ncc2ccccn12
Show InChI InChI=1S/C21H18FN5O/c22-16-7-1-2-9-19(16)27-18-10-5-8-17(15(18)13-24-27)25-21(28)20-23-12-14-6-3-4-11-26(14)20/h1-4,6-7,9,11-13,17H,5,8,10H2,(H,25,28)/t17-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477600
PNG
(N-[1-(3-methylphenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Cc1cccc(c1)-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C22H24N4O2/c1-14-6-4-7-15(12-14)26-19-10-5-9-18(17(19)13-23-26)24-22(27)21-16-8-2-3-11-20(16)28-25-21/h4,6-7,12-13,18H,2-3,5,8-11H2,1H3,(H,24,27)
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n/an/a 9n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477584
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1onc2CCCCc12
Show InChI InChI=1S/C21H21FN4O2/c22-15-7-2-4-10-19(15)26-18-11-5-9-16(14(18)12-23-26)24-21(27)20-13-6-1-3-8-17(13)25-28-20/h2,4,7,10,12,16H,1,3,5-6,8-9,11H2,(H,24,27)/t16-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477586
PNG
(N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1onc2CCCCc12
Show InChI InChI=1S/C22H24N4O2/c1-14-7-2-5-11-19(14)26-20-12-6-10-17(16(20)13-23-26)24-22(27)21-15-8-3-4-9-18(15)25-28-21/h2,5,7,11,13,17H,3-4,6,8-10,12H2,1H3,(H,24,27)/t17-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477622
PNG
(Propan-2-yl-3-[(4R)-4-(4,5,6,7-tetrahydro-1,2-benz...)
Show SMILES CC(C)OC(=O)c1cccc(c1)-n1ncc2[C@@H](CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C25H28N4O4/c1-15(2)32-25(31)16-7-5-8-17(13-16)29-21-11-6-10-20(19(21)14-26-29)27-24(30)23-18-9-3-4-12-22(18)33-28-23/h5,7-8,13-15,20H,3-4,6,9-12H2,1-2H3,(H,27,30)/t20-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477583
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C21H21FN4O2/c22-15-7-2-3-9-18(15)26-17-10-5-8-16(14(17)12-23-26)24-21(27)20-13-6-1-4-11-19(13)28-25-20/h2-3,7,9,12,16H,1,4-6,8,10-11H2,(H,24,27)/t16-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477595
PNG
(4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1ccnc(c1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C
Show InChI InChI=1S/C21H22N4O/c1-14-10-11-22-18(12-14)21(26)24-17-7-5-9-20-16(17)13-23-25(20)19-8-4-3-6-15(19)2/h3-4,6,8,10-13,17H,5,7,9H2,1-2H3,(H,24,26)/t17-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477619
PNG
((R)óN-(1-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahy...)
Show SMILES Cc1ccc(F)c(c1)-n1ncc2[C@@H](CCCc12)NC(=O)c1onc2CCCCc12
Show InChI InChI=1S/C22H23FN4O2/c1-13-9-10-16(23)20(11-13)27-19-8-4-7-17(15(19)12-24-27)25-22(28)21-14-5-2-3-6-18(14)26-29-21/h9-12,17H,2-8H2,1H3,(H,25,28)/t17-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477598
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1noc2ccccc12
Show InChI InChI=1S/C21H17FN4O2/c22-15-7-2-3-9-18(15)26-17-10-5-8-16(14(17)12-23-26)24-21(27)20-13-6-1-4-11-19(13)28-25-20/h1-4,6-7,9,11-12,16H,5,8,10H2,(H,24,27)/t16-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477609
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C20H16F4N4O/c21-14-4-1-2-6-18(14)28-17-7-3-5-15(13(17)11-26-28)27-19(29)16-10-12(8-9-25-16)20(22,23)24/h1-2,4,6,8-11,15H,3,5,7H2,(H,27,29)/t15-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477602
PNG
(Ethyl 3-[4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-a...)
Show SMILES CCOC(=O)c1cccc(c1)-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C24H26N4O4/c1-2-31-24(30)15-7-5-8-16(13-15)28-20-11-6-10-19(18(20)14-25-28)26-23(29)22-17-9-3-4-12-21(17)32-27-22/h5,7-8,13-14,19H,2-4,6,9-12H2,1H3,(H,26,29)
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477606
PNG
(4-chloro-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrah...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(Cl)ccn1
Show InChI InChI=1S/C19H16ClFN4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477579
PNG
(N-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1onc2CCCCc12
Show InChI InChI=1S/C21H21FN4O2/c22-15-7-2-4-10-19(15)26-18-11-5-9-16(14(18)12-23-26)24-21(27)20-13-6-1-3-8-17(13)25-28-20/h2,4,7,10,12,16H,1,3,5-6,8-9,11H2,(H,24,27)
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477621
PNG
(N-[(4R)-1-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1ccnc(c1)C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(C)ccc1F
Show InChI InChI=1S/C21H21FN4O/c1-13-6-7-16(22)20(11-13)26-19-5-3-4-17(15(19)12-24-26)25-21(27)18-10-14(2)8-9-23-18/h6-12,17H,3-5H2,1-2H3,(H,25,27)/t17-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477592
PNG
(N-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-4,...)
Show SMILES O=C(NC1CCCc2c1cnn2-c1ccccc1)c1noc2CCCCc12
Show InChI InChI=1S/C21H22N4O2/c26-21(20-15-9-4-5-12-19(15)27-24-20)23-17-10-6-11-18-16(17)13-22-25(18)14-7-2-1-3-8-14/h1-3,7-8,13,17H,4-6,9-12H2,(H,23,26)
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n/an/a 32n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477614
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Cc1cnc(cc1C)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C21H21FN4O/c1-13-10-18(23-11-14(13)2)21(27)25-17-7-5-9-19-15(17)12-24-26(19)20-8-4-3-6-16(20)22/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,25,27)/t17-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477607
PNG
(4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahy...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(Br)ccn1
Show InChI InChI=1S/C19H16BrFN4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477612
PNG
((R)óN-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Cc1ccnc(c1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C20H19FN4O/c1-13-9-10-22-17(11-13)20(26)24-16-6-4-8-18-14(16)12-23-25(18)19-7-3-2-5-15(19)21/h2-3,5,7,9-12,16H,4,6,8H2,1H3,(H,24,26)/t16-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477617
PNG
(4-fluoro-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrah...)
Show SMILES Fc1ccnc(c1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C19H16F2N4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477594
PNG
(5-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1ccc(nc1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C
Show InChI InChI=1S/C21H22N4O/c1-14-10-11-18(22-12-14)21(26)24-17-7-5-9-20-16(17)13-23-25(20)19-8-4-3-6-15(19)2/h3-4,6,8,10-13,17H,5,7,9H2,1-2H3,(H,24,26)/t17-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477611
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Cc1ccc(nc1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C20H19FN4O/c1-13-9-10-17(22-11-13)20(26)24-16-6-4-8-18-14(16)12-23-25(18)19-7-3-2-5-15(19)21/h2-3,5,7,9-12,16H,4,6,8H2,1H3,(H,24,26)/t16-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477603
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C21H17FN4O2/c22-14-6-1-3-9-18(14)26-17-10-5-8-15(13(17)12-23-26)24-20(27)21-25-16-7-2-4-11-19(16)28-21/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,24,27)/t15-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477596
PNG
(3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ncccc1C
Show InChI InChI=1S/C21H22N4O/c1-14-7-3-4-10-18(14)25-19-11-5-9-17(16(19)13-23-25)24-21(26)20-15(2)8-6-12-22-20/h3-4,6-8,10,12-13,17H,5,9,11H2,1-2H3,(H,24,26)/t17-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477597
PNG
(N-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-4,...)
Show SMILES O=C(NC1CCCc2c1cnn2-c1ccccc1)c1onc2CCCCc12
Show InChI InChI=1S/C21H22N4O2/c26-21(20-15-9-4-5-10-18(15)24-27-20)23-17-11-6-12-19-16(17)13-22-25(19)14-7-2-1-3-8-14/h1-3,7-8,13,17H,4-6,9-12H2,(H,23,26)
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477620
PNG
(N-[(4R)-1-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1ccc(F)c(c1)-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O/c1-12-5-6-15(22)19(9-12)29-18-4-2-3-16(14(18)11-27-29)28-20(30)17-10-13(7-8-26-17)21(23,24)25/h5-11,16H,2-4H2,1H3,(H,28,30)/t16-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477587
PNG
(N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)C1=CC2C=CC=CC2O1
Show InChI InChI=1S/C23H23N3O2/c1-15-7-2-4-10-19(15)26-20-11-6-9-18(17(20)14-24-26)25-23(27)22-13-16-8-3-5-12-21(16)28-22/h2-5,7-8,10,12-14,16,18,21H,6,9,11H2,1H3,(H,25,27)/t16?,18-,21?/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477589
PNG
(3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1ccsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C
Show InChI InChI=1S/C20H21N3OS/c1-13-6-3-4-8-17(13)23-18-9-5-7-16(15(18)12-21-23)22-20(24)19-14(2)10-11-25-19/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3,(H,22,24)/t16-/m1/s1
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n/an/a 136n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477574
PNG
((R)óN-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ccccn1
Show InChI InChI=1S/C19H17FN4O/c20-14-6-1-2-9-18(14)24-17-10-5-8-15(13(17)12-22-24)23-19(25)16-7-3-4-11-21-16/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,23,25)/t15-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477623
PNG
(US10889564, Example 53)
Show SMILES O=C(N[C@@H]1CCCc2c1cnn2-c1cccc(c1)C(=O)N1CCOCC1)c1noc2CCCCc12
Show InChI InChI=1S/C26H29N5O4/c32-25(24-19-7-1-2-10-23(19)35-29-24)28-21-8-4-9-22-20(21)16-27-31(22)18-6-3-5-17(15-18)26(33)30-11-13-34-14-12-30/h3,5-6,15-16,21H,1-2,4,7-14H2,(H,28,32)/t21-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477576
PNG
(N-(1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccc(c(F)c1)-n1ncc2C(CCCc12)NC(=O)c1onc2CCCCc12
Show InChI InChI=1S/C21H20F2N4O2/c22-12-8-9-19(15(23)10-12)27-18-7-3-6-16(14(18)11-24-27)25-21(28)20-13-4-1-2-5-17(13)26-29-20/h8-11,16H,1-7H2,(H,25,28)
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477590
PNG
(N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ccccn1
Show InChI InChI=1S/C20H20N4O/c1-14-7-2-3-10-18(14)24-19-11-6-9-16(15(19)13-22-24)23-20(25)17-8-4-5-12-21-17/h2-5,7-8,10,12-13,16H,6,9,11H2,1H3,(H,23,25)/t16-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477613
PNG
(4-methyl-N-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol...)
Show SMILES Cc1ccnc(c1)C(=O)NC1CCCc2c1cnn2-c1ccccc1
Show InChI InChI=1S/C20H20N4O/c1-14-10-11-21-18(12-14)20(25)23-17-8-5-9-19-16(17)13-22-24(19)15-6-3-2-4-7-15/h2-4,6-7,10-13,17H,5,8-9H2,1H3,(H,23,25)
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n/an/a 441n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477588
PNG
(3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES CC1=C(OC2C=CC=CC12)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C
Show InChI InChI=1S/C24H25N3O2/c1-15-8-3-5-11-20(15)27-21-12-7-10-19(18(21)14-25-27)26-24(28)23-16(2)17-9-4-6-13-22(17)29-23/h3-6,8-9,11,13-14,17,19,22H,7,10,12H2,1-2H3,(H,26,28)/t17?,19-,22?/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477585
PNG
(N-[(4R*)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-...)
Show SMILES Cc1cnc(cn1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C19H18FN5O/c1-12-9-22-16(11-21-12)19(26)24-15-6-4-8-17-13(15)10-23-25(17)18-7-3-2-5-14(18)20/h2-3,5,7,9-11,15H,4,6,8H2,1H3,(H,24,26)/t15-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477591
PNG
(2-hydroxy-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetra...)
Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cccnc1O
Show InChI InChI=1S/C20H20N4O2/c1-13-6-2-3-9-17(13)24-18-10-4-8-16(15(18)12-22-24)23-20(26)14-7-5-11-21-19(14)25/h2-3,5-7,9,11-12,16H,4,8,10H2,1H3,(H,21,25)(H,23,26)/t16-/m1/s1
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477575
PNG
(N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1cscn1
Show InChI InChI=1S/C17H15FN4OS/c18-12-4-1-2-6-16(12)22-15-7-3-5-13(11(15)8-20-22)21-17(23)14-9-24-10-19-14/h1-2,4,6,8-10,13H,3,5,7H2,(H,21,23)
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Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477610
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H16F4N4O/c21-14-4-1-2-6-18(14)28-17-7-3-5-15(13(17)11-26-28)27-19(29)16-9-8-12(10-25-16)20(22,23)24/h1-2,4,6,8-11,15H,3,5,7H2,(H,27,29)/t15-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477608
PNG
((R)óN-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES COc1cc(nc2ccccc12)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C24H21FN4O2/c1-31-23-13-20(27-18-9-4-2-7-15(18)23)24(30)28-19-10-6-12-21-16(19)14-26-29(21)22-11-5-3-8-17(22)25/h2-5,7-9,11,13-14,19H,6,10,12H2,1H3,(H,28,30)/t19-/m1/s1
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n/an/a 2.08E+3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477572
PNG
(N-(1-(2-Fluorophenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1ccccn1
Show InChI InChI=1S/C19H17FN4O/c20-14-6-1-2-9-18(14)24-17-10-5-8-15(13(17)12-22-24)23-19(25)16-7-3-4-11-21-16/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,23,25)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM62235
PNG
(MLS-0412040.0001 | N-[1-(2,4-difluorophenyl)-4,5,6...)
Show SMILES CCc1cc(no1)C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
Show InChI InChI=1S/C19H18F2N4O2/c1-2-12-9-16(24-27-12)19(26)23-15-4-3-5-17-13(15)10-22-25(17)18-7-6-11(20)8-14(18)21/h6-10,15H,2-5H2,1H3,(H,23,26)
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US Patent
n/an/a 2.44E+3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477605
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc2ccccc2[nH]1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477615
PNG
(6-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1cccc(n1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C
Show InChI InChI=1S/C21H22N4O/c1-14-7-3-4-11-19(14)25-20-12-6-9-17(16(20)13-22-25)24-21(26)18-10-5-8-15(2)23-18/h3-5,7-8,10-11,13,17H,6,9,12H2,1-2H3,(H,24,26)/t17-/m1/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477577
PNG
(N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Cc1cc(no1)C(=O)NC1CCCc2c1cnn2-c1ccc(C)c(C)c1
Show InChI InChI=1S/C20H22N4O2/c1-12-7-8-15(9-13(12)2)24-19-6-4-5-17(16(19)11-21-24)22-20(25)18-10-14(3)26-23-18/h7-11,17H,4-6H2,1-3H3,(H,22,25)
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n/an/a 5.83E+3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477573
PNG
((S)óN-(1-(2-Fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccccc1-n1ncc2[C@H](CCCc12)NC(=O)c1ccccn1
Show InChI InChI=1S/C19H17FN4O/c20-14-6-1-2-9-18(14)24-17-10-5-8-15(13(17)12-22-24)23-19(25)16-7-3-4-11-21-16/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,23,25)/t15-/m0/s1
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n/an/a 6.36E+3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477582
PNG
(N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES CSc1nc(cs1)C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
Show InChI InChI=1S/C18H16F2N4OS2/c1-26-18-23-14(9-27-18)17(25)22-13-3-2-4-15-11(13)8-21-24(15)16-6-5-10(19)7-12(16)20/h5-9,13H,2-4H2,1H3,(H,22,25)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477580
PNG
(Methyl 6-({[1-(3,5-difluorophenyl)-4,5,6,7-tetrahy...)
Show SMILES COC(=O)c1ccc(nc1)C(=O)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H18F2N4O3/c1-30-21(29)12-5-6-18(24-10-12)20(28)26-17-3-2-4-19-16(17)11-25-27(19)15-8-13(22)7-14(23)9-15/h5-11,17H,2-4H2,1H3,(H,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477578
PNG
(Methyl 6-({[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-...)
Show SMILES COC(=O)c1ccc(nc1)C(=O)NC1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C21H19FN4O3/c1-29-21(28)13-9-10-17(23-11-13)20(27)25-16-6-4-8-18-14(16)12-24-26(18)19-7-3-2-5-15(19)22/h2-3,5,7,9-12,16H,4,6,8H2,1H3,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM477593
PNG
(N-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)pyr...)
Show SMILES O=C(NC1CCCc2c1cnn2-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C19H18N4O/c24-19(17-9-4-5-12-20-17)22-16-10-6-11-18-15(16)13-21-23(18)14-7-2-1-3-8-14/h1-5,7-9,12-13,16H,6,10-11H2,(H,22,24)
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n/an/a 2.39E+6n/an/an/an/an/an/a



Genase Therapeutics B.V.

US Patent


Assay Description
Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...


US Patent US10889564 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%