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Patent code US10150728

Compile Data Set for Download or QSAR

Found 704 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307410
PNG
(US10150728, Example I-639)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CCC3)c(F)c2n1C)NC(C)=O
Show InChI InChI=1S/C23H31F2N3O4/c1-13(26-14(2)29)12-30-15-7-9-17(10-8-15)32-23-27-21-18(24)11-19(31-16-5-4-6-16)20(25)22(21)28(23)3/h11,13,15-17H,4-10,12H2,1-3H3,(H,26,29)/t13-,15-,17-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307424
PNG
(US10150728, Example I-655)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C22H29ClFN3O4/c1-12(25-13(2)28)11-29-14-4-6-16(7-5-14)31-22-26-20-17(24)10-18(30-15-8-9-15)19(23)21(20)27(22)3/h10,12,14-16H,4-9,11H2,1-3H3,(H,25,28)/t12-,14-,16-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM306965
PNG
(US10150728, Example I-178)
Show SMILES CCOc1nc2ccc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)nc2s1
Show InChI InChI=1S/C19H27N3O4S/c1-4-24-19-21-16-9-10-17(22-18(16)27-19)26-15-7-5-14(6-8-15)25-11-12(2)20-13(3)23/h9-10,12,14-15H,4-8,11H2,1-3H3,(H,20,23)/t12-,14-,15-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307449
PNG
(US10150728, Example I-683)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(F)c2n1C)NC(=O)C(F)F
Show InChI InChI=1S/C22H27F4N3O4/c1-11(27-21(30)20(25)26)10-31-12-3-5-14(6-4-12)33-22-28-18-15(23)9-16(32-13-7-8-13)17(24)19(18)29(22)2/h9,11-14,20H,3-8,10H2,1-2H3,(H,27,30)/t11-,12-,14-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307385
PNG
(US10150728, Example I-611)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(F)c2n1C)NC(C)=O
Show InChI InChI=1S/C22H29F2N3O4/c1-12(25-13(2)28)11-29-14-4-6-16(7-5-14)31-22-26-20-17(23)10-18(30-15-8-9-15)19(24)21(20)27(22)3/h10,12,14-16H,4-9,11H2,1-3H3,(H,25,28)/t12-,14-,16-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307463
PNG
(US10150728, Example I-698)
Show SMILES CCOc1c(F)cc2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1F
Show InChI InChI=1S/C21H29F2N3O4/c1-5-28-20-16(22)10-17-19(18(20)23)26(4)21(25-17)30-15-8-6-14(7-9-15)29-11-12(2)24-13(3)27/h10,12,14-15H,5-9,11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM306944
PNG
(US10150728, Example I-157)
Show SMILES CCOc1nc2ccc(OC[C@H]3C[C@@H](C3)OC[C@H](C)NC(C)=O)nc2s1
Show InChI InChI=1S/C18H25N3O4S/c1-4-23-18-20-15-5-6-16(21-17(15)26-18)25-10-13-7-14(8-13)24-9-11(2)19-12(3)22/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,19,22)/t11-,13-,14-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307475
PNG
(US10150728, Example I-713)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC(F)(F)C3)c(F)c2n1C)NC(C)=O
Show InChI InChI=1S/C23H29F4N3O4/c1-12(28-13(2)31)11-32-14-4-6-15(7-5-14)34-22-29-20-17(24)8-18(19(25)21(20)30(22)3)33-16-9-23(26,27)10-16/h8,12,14-16H,4-7,9-11H2,1-3H3,(H,28,31)/t12-,14-,15-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307497
PNG
(US10150728, Example I-740)
Show SMILES CCOc1cc(F)c2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1Cl
Show InChI InChI=1S/C21H29ClFN3O4/c1-5-28-17-10-16(23)19-20(18(17)22)26(4)21(25-19)30-15-8-6-14(7-9-15)29-11-12(2)24-13(3)27/h10,12,14-15H,5-9,11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307226
PNG
(US10150728, Example I-439)
Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3ncc(Cl)s3)c2Cl)C1)NC(C)=O
Show InChI InChI=1S/C18H22Cl2N4O4S/c1-10(24-11(2)25)6-26-13-3-12(4-13)7-27-17-16(20)18(23-9-22-17)28-8-15-21-5-14(19)29-15/h5,9-10,12-13H,3-4,6-8H2,1-2H3,(H,24,25)/t10-,12-,13-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307247
PNG
(US10150728, Example I-460)
Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3cc(Cl)ccn3)c2F)C1)NC(C)=O
Show InChI InChI=1S/C20H24ClFN4O4/c1-12(26-13(2)27)8-28-17-5-14(6-17)9-29-19-18(22)20(25-11-24-19)30-10-16-7-15(21)3-4-23-16/h3-4,7,11-12,14,17H,5-6,8-10H2,1-2H3,(H,26,27)/t12-,14-,17-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307172
PNG
(US10150728, Example I-385)
Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3cc(Cl)ccn3)c2Cl)C1)NC(C)=O
Show InChI InChI=1S/C20H24Cl2N4O4/c1-12(26-13(2)27)8-28-17-5-14(6-17)9-29-19-18(22)20(25-11-24-19)30-10-16-7-15(21)3-4-23-16/h3-4,7,11-12,14,17H,5-6,8-10H2,1-2H3,(H,26,27)/t12-,14-,17-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307421
PNG
(US10150728, Example I-651)
Show SMILES CCOc1cc(Cl)c2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1F
Show InChI InChI=1S/C21H29ClFN3O4/c1-5-28-17-10-16(22)19-20(18(17)23)26(4)21(25-19)30-15-8-6-14(7-9-15)29-11-12(2)24-13(3)27/h10,12,14-15H,5-9,11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307487
PNG
(US10150728, Example I-729)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(F)c2n1C)NC(=O)CC#N
Show InChI InChI=1S/C23H28F2N4O4/c1-13(27-19(30)9-10-26)12-31-14-3-5-16(6-4-14)33-23-28-21-17(24)11-18(32-15-7-8-15)20(25)22(21)29(23)2/h11,13-16H,3-9,12H2,1-2H3,(H,27,30)/t13-,14-,16-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307032
PNG
(US10150728, Example I-245)
Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ccc3nc(OC4CCC4)sc3n2)C1)NC(C)=O
Show InChI InChI=1S/C20H27N3O4S/c1-12(21-13(2)24)10-25-16-8-14(9-16)11-26-18-7-6-17-19(23-18)28-20(22-17)27-15-4-3-5-15/h6-7,12,14-16H,3-5,8-11H2,1-2H3,(H,21,24)/t12-,14-,16-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307407
PNG
(US10150728, Example I-636)
Show SMILES C[C@@H](CC[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OC3CC3)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C22H31ClN4O3/c1-13(25-14(2)28)4-5-15-6-8-17(9-7-15)30-22-26-18-12-24-21(29-16-10-11-16)19(23)20(18)27(22)3/h12-13,15-17H,4-11H2,1-3H3,(H,25,28)/t13-,15-,17-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307491
PNG
(US10150728, Example I-734)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)cc2n1C)NC(C)=O
Show InChI InChI=1S/C22H30FN3O4/c1-13(24-14(2)27)12-28-15-4-6-17(7-5-15)30-22-25-21-19(23)10-18(29-16-8-9-16)11-20(21)26(22)3/h10-11,13,15-17H,4-9,12H2,1-3H3,(H,24,27)/t13-,15-,17-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307223
PNG
(US10150728, Example I-436)
Show SMILES C[C@@H](CO[C@@H]1C[C@H](COc2ncnc(OCc3ccccn3)c2Cl)C1)NC(C)=O
Show InChI InChI=1S/C20H25ClN4O4/c1-13(25-14(2)26)9-27-17-7-15(8-17)10-28-19-18(21)20(24-12-23-19)29-11-16-5-3-4-6-22-16/h3-6,12-13,15,17H,7-11H2,1-2H3,(H,25,26)/t13-,15-,17+/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307248
PNG
(US10150728, Example I-461)
Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3ccc(F)cc3)c2F)C1)NC(C)=O
Show InChI InChI=1S/C21H25F2N3O4/c1-13(26-14(2)27)9-28-18-7-16(8-18)11-30-21-19(23)20(24-12-25-21)29-10-15-3-5-17(22)6-4-15/h3-6,12-13,16,18H,7-11H2,1-2H3,(H,26,27)/t13-,16-,18-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307025
PNG
(US10150728, Example I-238)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1ncc2nc(OC3CC3)sc2c1F)NC(C)=O
Show InChI InChI=1S/C20H26FN3O4S/c1-11(23-12(2)25)10-26-13-3-5-14(6-4-13)27-19-17(21)18-16(9-22-19)24-20(29-18)28-15-7-8-15/h9,11,13-15H,3-8,10H2,1-2H3,(H,23,25)/t11-,13-,14-/m0/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307408
PNG
(US10150728, Example I-637)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC(F)F)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C21H27ClF3N3O4/c1-11(26-12(2)29)9-30-13-4-6-14(7-5-13)32-21-27-19-15(23)8-16(31-10-17(24)25)18(22)20(19)28(21)3/h8,11,13-14,17H,4-7,9-10H2,1-3H3,(H,26,29)/t11-,13-,14-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307454
PNG
(US10150728, Example I-688)
Show SMILES C[C@@H](CC[C@@H]1CC[C@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C21H27ClF3N3O4/c1-11(26-12(2)29)4-5-13-6-7-14(9-30-13)32-21-27-19-15(23)8-16(31-10-17(24)25)18(22)20(19)28(21)3/h8,11,13-14,17H,4-7,9-10H2,1-3H3,(H,26,29)/t11-,13+,14+/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM306906
PNG
(US10150728, Example I-119)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1ccc2nc(OCC3CC3)sc2c1F)NC(C)=O
Show InChI InChI=1S/C22H29FN2O4S/c1-13(24-14(2)26)11-27-16-5-7-17(8-6-16)29-19-10-9-18-21(20(19)23)30-22(25-18)28-12-15-3-4-15/h9-10,13,15-17H,3-8,11-12H2,1-2H3,(H,24,26)/t13-,16-,17-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307330
PNG
(US10150728, Example I-544)
Show SMILES C[C@@H](CC[C@H]1CC[C@@H](CC1)Oc1ncc(cc1F)-c1ncc(Cl)cn1)NC(C)=O
Show InChI InChI=1S/C21H26ClFN4O2/c1-13(27-14(2)28)3-4-15-5-7-18(8-6-15)29-21-19(23)9-16(10-26-21)20-24-11-17(22)12-25-20/h9-13,15,18H,3-8H2,1-2H3,(H,27,28)/t13-,15-,18-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307462
PNG
(US10150728, Example I-697)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(F)c2n1C)NC(N)=O
Show InChI InChI=1S/C21H28F2N4O4/c1-11(25-20(24)28)10-29-12-3-5-14(6-4-12)31-21-26-18-15(22)9-16(30-13-7-8-13)17(23)19(18)27(21)2/h9,11-14H,3-8,10H2,1-2H3,(H3,24,25,28)/t11-,12-,14-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307006
PNG
(US10150728, Example I-219)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1cc2sc(OC3CC(F)(F)C3)nc2cn1)NC(C)=O
Show InChI InChI=1S/C21H27F2N3O4S/c1-12(25-13(2)27)11-28-14-3-5-15(6-4-14)29-19-7-18-17(10-24-19)26-20(31-18)30-16-8-21(22,23)9-16/h7,10,12,14-16H,3-6,8-9,11H2,1-2H3,(H,25,27)/t12-,14-,15-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307427
PNG
(US10150728, Example I-658)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(OCC(F)F)c(F)c2n1C)NC(C)=O
Show InChI InChI=1S/C21H27F4N3O4/c1-11(26-12(2)29)9-30-13-4-6-14(7-5-13)32-21-27-16-8-15(22)20(31-10-17(23)24)18(25)19(16)28(21)3/h8,11,13-14,17H,4-7,9-10H2,1-3H3,(H,26,29)/t11-,13-,14-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307433
PNG
(US10150728, Example I-665)
Show SMILES CCOc1cc(F)c2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1F
Show InChI InChI=1S/C21H29F2N3O4/c1-5-28-17-10-16(22)19-20(18(17)23)26(4)21(25-19)30-15-8-6-14(7-9-15)29-11-12(2)24-13(3)27/h10,12,14-15H,5-9,11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307471
PNG
(US10150728, Example I-708)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OCC3CC3(F)F)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C22H29ClF2N4O4/c1-12(27-13(2)30)10-31-15-4-6-16(7-5-15)33-21-28-17-9-26-20(18(23)19(17)29(21)3)32-11-14-8-22(14,24)25/h9,12,14-16H,4-8,10-11H2,1-3H3,(H,27,30)/t12-,14?,15-,16-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM306973
PNG
(US10150728, Example I-186)
Show SMILES CCOc1nc2cc(F)c(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)nc2s1
Show InChI InChI=1S/C19H26FN3O4S/c1-4-25-19-22-16-9-15(20)17(23-18(16)28-19)27-14-7-5-13(6-8-14)26-10-11(2)21-12(3)24/h9,11,13-14H,4-8,10H2,1-3H3,(H,21,24)/t11-,13-,14-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307430
PNG
(US10150728, Example I-662)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OCC3CC3)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C22H31ClN4O4/c1-13(25-14(2)28)11-29-16-6-8-17(9-7-16)31-22-26-18-10-24-21(30-12-15-4-5-15)19(23)20(18)27(22)3/h10,13,15-17H,4-9,11-12H2,1-3H3,(H,25,28)/t13-,16-,17-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307504
PNG
(US10150728, Example I-748)
Show SMILES C[C@@H](CC[C@H]1OC[C@@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C20H25ClF3N3O5/c1-10(25-11(2)28)4-5-16-30-7-12(8-31-16)32-20-26-18-13(22)6-14(29-9-15(23)24)17(21)19(18)27(20)3/h6,10,12,15-16H,4-5,7-9H2,1-3H3,(H,25,28)/t10-,12-,16-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM306960
PNG
(US10150728, Example I-173)
Show SMILES CC(C)Oc1nc2ccc(OC[C@H]3C[C@@H](C3)OC[C@H](C)NC(C)=O)nc2s1
Show InChI InChI=1S/C19H27N3O4S/c1-11(2)26-19-21-16-5-6-17(22-18(16)27-19)25-10-14-7-15(8-14)24-9-12(3)20-13(4)23/h5-6,11-12,14-15H,7-10H2,1-4H3,(H,20,23)/t12-,14-,15-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM306985
PNG
(US10150728, Example I-198)
Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ccc3nc(OCC4(C)CC4)sc3n2)C1)NC(C)=O
Show InChI InChI=1S/C21H29N3O4S/c1-13(22-14(2)25)10-26-16-8-15(9-16)11-27-18-5-4-17-19(24-18)29-20(23-17)28-12-21(3)6-7-21/h4-5,13,15-16H,6-12H2,1-3H3,(H,22,25)/t13-,15-,16-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307399
PNG
(US10150728, Example I-627)
Show SMILES C[C@@H](CC[C@@H]1CC[C@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C)NC(C)=O
Show InChI InChI=1S/C21H27F4N3O4/c1-11(26-12(2)29)4-5-13-6-7-14(9-30-13)32-21-27-19-15(22)8-16(31-10-17(23)24)18(25)20(19)28(21)3/h8,11,13-14,17H,4-7,9-10H2,1-3H3,(H,26,29)/t11-,13+,14+/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307448
PNG
(US10150728, Example I-682)
Show SMILES C[C@@H](CC[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OC3CC3)c(Cl)c2n1C)NC(N)=O
Show InChI InChI=1S/C21H30ClN5O3/c1-12(25-20(23)28)3-4-13-5-7-15(8-6-13)30-21-26-16-11-24-19(29-14-9-10-14)17(22)18(16)27(21)2/h11-15H,3-10H2,1-2H3,(H3,23,25,28)/t12-,13-,15-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307452
PNG
(US10150728, Example I-686)
Show SMILES CCOc1nc(F)c2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1Cl
Show InChI InChI=1S/C20H28ClFN4O4/c1-5-28-19-15(21)17-16(18(22)25-19)24-20(26(17)4)30-14-8-6-13(7-9-14)29-10-11(2)23-12(3)27/h11,13-14H,5-10H2,1-4H3,(H,23,27)/t11-,13-,14-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307397
PNG
(US10150728, Example I-625)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OCC3CC3)c(F)c2n1C)NC(C)=O
Show InChI InChI=1S/C22H31FN4O4/c1-13(25-14(2)28)11-29-16-6-8-17(9-7-16)31-22-26-18-10-24-21(30-12-15-4-5-15)19(23)20(18)27(22)3/h10,13,15-17H,4-9,11-12H2,1-3H3,(H,25,28)/t13-,16-,17-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM306964
PNG
(US10150728, Example I-177)
Show SMILES CCOc1nc2ccc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)cc2s1
Show InChI InChI=1S/C20H28N2O4S/c1-4-24-20-22-18-10-9-17(11-19(18)27-20)26-16-7-5-15(6-8-16)25-12-13(2)21-14(3)23/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,21,23)/t13-,15-,16-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307083
PNG
(US10150728, Example I-296)
Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ccc3nc(O[C@@H]4C[C@H](F)C4)sc3n2)C1)NC(C)=O
Show InChI InChI=1S/C20H26FN3O4S/c1-11(22-12(2)25)9-26-15-5-13(6-15)10-27-18-4-3-17-19(24-18)29-20(23-17)28-16-7-14(21)8-16/h3-4,11,13-16H,5-10H2,1-2H3,(H,22,25)/t11-,13-,14-,15-,16+/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307417
PNG
(US10150728, Example I-647)
Show SMILES CC(C)Oc1ncc2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1Cl
Show InChI InChI=1S/C21H31ClN4O4/c1-12(2)29-20-18(22)19-17(10-23-20)25-21(26(19)5)30-16-8-6-15(7-9-16)28-11-13(3)24-14(4)27/h10,12-13,15-16H,6-9,11H2,1-5H3,(H,24,27)/t13-,15-,16-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM306997
PNG
(US10150728, Example I-210)
Show SMILES CCOc1nc2cnc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)c(F)c2s1
Show InChI InChI=1S/C19H26FN3O4S/c1-4-25-19-23-15-9-21-18(16(20)17(15)28-19)27-14-7-5-13(6-8-14)26-10-11(2)22-12(3)24/h9,11,13-14H,4-8,10H2,1-3H3,(H,22,24)/t11-,13-,14-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307378
PNG
(US10150728, Example I-604)
Show SMILES CCOc1ccc2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1Cl
Show InChI InChI=1S/C21H30ClN3O4/c1-5-27-18-11-10-17-20(19(18)22)25(4)21(24-17)29-16-8-6-15(7-9-16)28-12-13(2)23-14(3)26/h10-11,13,15-16H,5-9,12H2,1-4H3,(H,23,26)/t13-,15-,16-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307473
PNG
(US10150728, Example I-710)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(Cl)nc(OC3CC3)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C21H28Cl2N4O4/c1-11(24-12(2)28)10-29-13-4-6-15(7-5-13)31-21-25-17-18(27(21)3)16(22)20(26-19(17)23)30-14-8-9-14/h11,13-15H,4-10H2,1-3H3,(H,24,28)/t11-,13-,15-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307398
PNG
(US10150728, Example I-626)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC3CC3)c(F)c2n1C)NC(C)=O
Show InChI InChI=1S/C23H31F2N3O4/c1-13(26-14(2)29)11-30-16-6-8-17(9-7-16)32-23-27-21-18(24)10-19(31-12-15-4-5-15)20(25)22(21)28(23)3/h10,13,15-17H,4-9,11-12H2,1-3H3,(H,26,29)/t13-,16-,17-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307095
PNG
(US10150728, Example I-308)
Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ccc3nc(OCC4CC4)sc3n2)C1)NC(C)=O
Show InChI InChI=1S/C20H27N3O4S/c1-12(21-13(2)24)9-25-16-7-15(8-16)11-26-18-6-5-17-19(23-18)28-20(22-17)27-10-14-3-4-14/h5-6,12,14-16H,3-4,7-11H2,1-2H3,(H,21,24)/t12-,15-,16-/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM306957
PNG
(US10150728, Example I-170)
Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ccc3nc(OCC(F)(F)F)sc3n2)C1)NC(C)=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-10(22-11(2)25)7-26-13-5-12(6-13)8-27-15-4-3-14-16(24-15)29-17(23-14)28-9-18(19,20)21/h3-4,10,12-13H,5-9H2,1-2H3,(H,22,25)/t10-,12-,13-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307450
PNG
(US10150728, Example I-684)
Show SMILES C[C@@H](CC[C@@H]1CC[C@H](CO1)Oc1nc2cnc(OCC(F)F)c(Cl)c2n1C)NC(C)=O
Show InChI InChI=1S/C20H27ClF2N4O4/c1-11(25-12(2)28)4-5-13-6-7-14(9-29-13)31-20-26-15-8-24-19(30-10-16(22)23)17(21)18(15)27(20)3/h8,11,13-14,16H,4-7,9-10H2,1-3H3,(H,25,28)/t11-,13+,14+/m0/s1
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Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307318
PNG
(US10150728, Example I-532)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1ncc(cc1C)-c1ncc(F)cn1)NC(C)=O
Show InChI InChI=1S/C21H27FN4O3/c1-13-8-16(20-23-10-17(22)11-24-20)9-25-21(13)29-19-6-4-18(5-7-19)28-12-14(2)26-15(3)27/h8-11,14,18-19H,4-7,12H2,1-3H3,(H,26,27)/t14-,18-,19-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM307307
PNG
(BDBM307328 | US10150728, Example I-521)
Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1ncc(cc1F)-c1ncc(F)cn1)NC(C)=O
Show InChI InChI=1S/C20H24F2N4O3/c1-12(26-13(2)27)11-28-16-3-5-17(6-4-16)29-20-18(22)7-14(8-25-20)19-23-9-15(21)10-24-19/h7-10,12,16-17H,3-6,11H2,1-2H3,(H,26,27)/t12-,16-,17-/m0/s1
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US Patent


Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...


US Patent US10150728 (2018)

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