Found 736 hits with Last Name = 'tomida' and Initial = 'y' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307410
(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 |r,wU:7.10,1.0,wD:4.3,(6.94,-2.37,;6.94,-.83,;5.61,-.06,;4.27,-.83,;2.94,-.06,;2.94,1.48,;1.61,2.25,;.27,1.48,;.27,-.06,;1.61,-.83,;-1.06,2.25,;-2.4,1.48,;-2.56,-.05,;-4.06,-.37,;-4.83,-1.71,;-4.06,-3.04,;-6.37,-1.71,;-7.14,-.37,;-8.68,-.37,;-9.45,-1.71,;-10.94,-2.11,;-10.54,-3.59,;-9.05,-3.19,;-6.37,.96,;-7.14,2.29,;-4.83,.96,;-3.8,2.11,;-4.2,3.59,;8.27,-.06,;9.61,-.83,;10.94,-.06,;9.61,-2.37,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307424
(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 |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM306944
(US10150728, Example I-157)Show SMILES CCOc1nc2ccc(OC[C@H]3C[C@@H](C3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:11.10,17.18,wD:13.15,(-7.87,3.39,;-9.36,2.99,;-9.76,1.5,;-8.67,.42,;-8.67,-1.12,;-7.2,-1.6,;-6.58,-3.01,;-5.05,-3.17,;-4.14,-1.92,;-2.65,-2.32,;-1.56,-1.23,;-.08,-1.63,;1.26,-.86,;2.03,-2.19,;.69,-2.96,;3.51,-2.59,;4.6,-1.5,;6.09,-1.9,;6.49,-3.39,;7.18,-.81,;8.67,-1.21,;9.76,-.12,;9.07,-2.7,;-4.77,-.52,;-6.3,-.35,;-7.2,.89,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM306965
(US10150728, Example I-178)Show SMILES CCOc1nc2ccc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:13.16,18.19,wD:10.9,(-9.48,-2.34,;-9.48,-3.88,;-8.15,-4.65,;-6.82,-3.88,;-5.41,-4.5,;-4.38,-3.36,;-2.84,-3.36,;-2.07,-2.02,;-2.84,-.69,;-2.07,.64,;-.53,.64,;.24,-.69,;1.78,-.69,;2.55,.64,;1.78,1.98,;.24,1.98,;4.09,.64,;4.86,1.98,;6.4,1.98,;7.17,.64,;7.17,3.31,;8.71,3.31,;9.48,4.65,;9.48,1.98,;-4.38,-.69,;-5.15,-2.02,;-6.65,-2.34,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307385
(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 |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307449
(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 |r,wU:7.10,1.0,wD:4.3,(6.2,-2.54,;6.2,-1,;4.86,-.23,;3.53,-1,;2.2,-.23,;2.2,1.31,;.86,2.08,;-.47,1.31,;-.47,-.23,;.86,-1,;-1.81,2.08,;-3.14,1.31,;-3.3,-.23,;-4.81,-.55,;-5.58,-1.88,;-4.81,-3.21,;-7.12,-1.88,;-7.89,-.55,;-9.43,-.55,;-10.2,-1.88,;-11.53,-2.65,;-10.2,-3.42,;-7.12,.79,;-7.89,2.12,;-5.58,.79,;-4.55,1.93,;-4.95,3.42,;7.53,-.23,;8.86,-1,;8.86,-2.54,;10.2,-.23,;11.53,-1,;10.2,1.31,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307463
(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 |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-7.12,-3.32,;-4.81,-1.98,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307475
(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 |r,wU:7.10,1.0,wD:4.3,(7.41,-1.6,;7.41,-.06,;6.07,.71,;4.74,-.06,;3.41,.71,;3.41,2.25,;2.07,3.02,;.74,2.25,;.74,.71,;2.07,-.06,;-.59,3.02,;-1.93,2.25,;-2.09,.72,;-3.6,.4,;-4.37,-.94,;-3.6,-2.27,;-5.91,-.94,;-6.68,.4,;-8.22,.4,;-8.99,-.94,;-10.47,-1.34,;-10.07,-2.82,;-10.07,-4.36,;-11.41,-3.59,;-8.59,-2.42,;-5.91,1.73,;-6.68,3.06,;-4.37,1.73,;-3.34,2.88,;-3.73,4.36,;8.74,.71,;10.07,-.06,;11.41,.71,;10.07,-1.6,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307497
(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 |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-3.32,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM306906
(US10150728, Example I-119)Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1ccc2nc(OCC3CC3)sc2c1F)NC(C)=O |r,wU:4.3,1.0,wD:7.10,(9.38,-1.33,;8.61,,;7.07,,;6.3,-1.33,;4.76,-1.33,;3.99,-2.67,;2.45,-2.67,;1.68,-1.33,;2.45,,;3.99,,;.14,-1.33,;-1.4,-1.33,;-2.17,-2.67,;-3.71,-2.67,;-4.48,-1.33,;-5.99,-1.01,;-6.15,.52,;-7.48,1.29,;-8.82,.52,;-10.15,1.29,;-10.92,2.62,;-11.69,1.29,;-4.74,1.14,;-3.71,,;-2.17,,;-1.4,1.33,;9.38,1.33,;10.92,1.33,;11.69,2.67,;11.69,,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307006
(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 |r,wU:4.3,1.0,wD:7.10,(8.89,.64,;8.12,1.98,;6.58,1.98,;5.81,.64,;4.27,.64,;3.5,-.69,;1.96,-.69,;1.19,.64,;1.96,1.98,;3.5,1.98,;-.35,.64,;-1.12,-.69,;-2.66,-.69,;-3.43,-2.02,;-4.94,-2.34,;-5.1,-3.88,;-6.44,-4.65,;-7.77,-3.88,;-8.17,-2.39,;-9.66,-2.79,;-10.43,-1.45,;-11.2,-2.79,;-9.26,-4.27,;-3.7,-4.5,;-2.66,-3.36,;-1.12,-3.36,;-.35,-2.02,;8.89,3.31,;10.43,3.31,;11.2,4.65,;11.2,1.98,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307025
(US10150728, Example I-238)Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1ncc2nc(OC3CC3)sc2c1F)NC(C)=O |r,wU:4.3,1.0,wD:7.10,(7.93,.64,;7.16,1.98,;5.62,1.98,;4.85,.64,;3.31,.64,;2.54,-.69,;1,-.69,;.23,.64,;1,1.98,;2.54,1.98,;-1.31,.64,;-2.08,-.69,;-1.31,-2.02,;-2.08,-3.36,;-3.62,-3.36,;-4.65,-4.5,;-6.05,-3.88,;-7.39,-4.65,;-8.7,-3.88,;-9.47,-2.54,;-10.24,-3.88,;-5.89,-2.34,;-4.39,-2.02,;-3.62,-.69,;-4.39,.64,;7.93,3.31,;9.47,3.31,;10.24,4.65,;10.24,1.98,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307032
(US10150728, Example I-245)Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ccc3nc(OC4CCC4)sc3n2)C1)NC(C)=O |r,wU:1.0,6.6,wD:4.3,(8.82,-.67,;8.05,.67,;6.51,.67,;5.74,-.67,;4.2,-.67,;3.11,.42,;2.02,-.67,;.48,-.67,;-.29,-2,;-1.83,-2,;-2.6,-3.33,;-4.14,-3.33,;-4.91,-2,;-6.41,-1.68,;-6.58,-.15,;-7.91,.62,;-9.24,-.15,;-10.73,.25,;-11.13,-1.24,;-9.64,-1.64,;-5.17,.48,;-4.14,-.67,;-2.6,-.67,;3.11,-1.76,;8.82,2,;10.36,2,;11.13,3.33,;11.13,.67,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307172
(US10150728, Example I-385)Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3cc(Cl)ccn3)c2Cl)C1)NC(C)=O |r,wU:4.3,wD:6.6,1.0,(7.61,3.01,;7.61,1.47,;6.28,.7,;4.94,1.47,;3.61,.7,;3.21,-.78,;1.72,-.38,;.39,-1.15,;-.94,-.38,;-2.28,-1.15,;-2.28,-2.69,;-3.61,-3.47,;-4.94,-2.69,;-4.94,-1.15,;-6.28,-.38,;-7.61,-1.15,;-8.95,-.38,;-8.95,1.15,;-10.28,1.93,;-10.28,3.47,;-11.61,1.15,;-11.61,-.38,;-10.28,-1.15,;-3.61,-.38,;-3.61,1.15,;2.12,1.1,;8.95,.7,;10.28,1.47,;11.61,.7,;10.28,3.01,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307223
(US10150728, Example I-436)Show SMILES C[C@@H](CO[C@@H]1C[C@H](COc2ncnc(OCc3ccccn3)c2Cl)C1)NC(C)=O |r,wU:6.6,4.3,wD:1.0,(7.61,3.24,;7.61,1.7,;6.28,.93,;4.94,1.7,;3.61,.93,;2.12,1.33,;1.72,-.16,;.39,-.93,;-.94,-.16,;-2.28,-.93,;-2.28,-2.47,;-3.61,-3.24,;-4.94,-2.47,;-4.94,-.93,;-6.28,-.16,;-7.61,-.93,;-8.95,-.16,;-8.95,1.38,;-10.28,2.15,;-11.61,1.38,;-11.61,-.16,;-10.28,-.93,;-3.61,-.16,;-3.61,1.38,;3.21,-.56,;8.95,.93,;10.28,1.7,;11.61,.93,;10.28,3.24,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307226
(US10150728, Example I-439)Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3ncc(Cl)s3)c2Cl)C1)NC(C)=O |r,wU:4.3,wD:6.6,1.0,(7.46,3.24,;7.46,1.7,;6.13,.93,;4.8,1.7,;3.46,.93,;3.06,-.56,;1.58,-.16,;.24,-.93,;-1.09,-.16,;-2.43,-.93,;-2.43,-2.47,;-3.76,-3.24,;-5.09,-2.47,;-5.09,-.93,;-6.43,-.16,;-7.76,-.93,;-9.09,-.16,;-10.56,-.64,;-11.46,.61,;-10.56,1.86,;-11.33,3.19,;-9.09,1.38,;-3.76,-.16,;-3.76,1.38,;1.97,1.33,;8.8,.93,;10.13,1.7,;11.46,.93,;10.13,3.24,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307247
(US10150728, Example I-460)Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3cc(Cl)ccn3)c2F)C1)NC(C)=O |r,wU:4.3,wD:6.6,1.0,(7.61,3.01,;7.61,1.47,;6.28,.7,;4.94,1.47,;3.61,.7,;3.21,-.78,;1.72,-.38,;.39,-1.15,;-.94,-.38,;-2.28,-1.15,;-2.28,-2.69,;-3.61,-3.47,;-4.94,-2.69,;-4.94,-1.15,;-6.28,-.38,;-7.61,-1.15,;-8.95,-.38,;-8.95,1.15,;-10.28,1.93,;-10.28,3.47,;-11.61,1.15,;-11.61,-.38,;-10.28,-1.15,;-3.61,-.38,;-3.61,1.15,;2.12,1.1,;8.95,.7,;10.28,1.47,;11.61,.7,;10.28,3.01,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307248
(US10150728, Example I-461)Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3ccc(F)cc3)c2F)C1)NC(C)=O |r,wU:4.3,wD:6.6,1.0,(8.28,3.24,;8.28,1.7,;6.94,.93,;5.61,1.7,;4.28,.93,;3.88,-.56,;2.39,-.16,;1.06,-.93,;-.28,-.16,;-1.61,-.93,;-1.61,-2.47,;-2.94,-3.24,;-4.28,-2.47,;-4.28,-.93,;-5.61,-.16,;-6.94,-.93,;-8.28,-.16,;-8.28,1.38,;-9.61,2.15,;-10.95,1.38,;-12.28,2.15,;-10.95,-.16,;-9.61,-.93,;-2.94,-.16,;-2.94,1.38,;2.79,1.33,;9.61,.93,;10.95,1.7,;12.28,.93,;10.95,3.24,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307330
(US10150728, Example I-544)Show SMILES C[C@@H](CC[C@H]1CC[C@@H](CC1)Oc1ncc(cc1F)-c1ncc(Cl)cn1)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,;2.67,-.38,;2.67,1.15,;1.33,1.93,;,1.15,;,-.38,;1.33,-1.15,;-1.33,1.93,;-2.67,1.15,;-2.67,-.38,;-4,-1.15,;-5.33,-.38,;-5.33,1.15,;-4,1.93,;-4,3.47,;-6.67,-1.15,;-8,-.38,;-9.34,-1.15,;-9.34,-2.69,;-10.67,-3.47,;-8,-3.47,;-6.67,-2.69,;8,-.38,;9.34,-1.15,;10.67,-.38,;9.34,-2.69,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307407
(US10150728, Example I-636)Show SMILES C[C@@H](CC[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OC3CC3)c(Cl)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307408
(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 |r,wU:7.10,1.0,wD:4.3,(7.35,-2.65,;7.35,-1.11,;6.02,-.34,;4.68,-1.11,;3.35,-.34,;3.35,1.2,;2.02,1.97,;.68,1.2,;.68,-.34,;2.02,-1.11,;-.65,1.97,;-1.98,1.2,;-2.15,-.33,;-3.65,-.65,;-4.42,-1.98,;-3.65,-3.32,;-5.96,-1.98,;-6.73,-.65,;-8.27,-.65,;-9.04,-1.98,;-10.58,-1.98,;-11.35,-3.32,;-11.35,-.65,;-5.96,.68,;-6.73,2.02,;-4.42,.68,;-3.39,1.83,;-3.79,3.32,;8.68,-.34,;10.02,-1.11,;11.35,-.34,;10.02,-2.65,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307421
(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 |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-3.32,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307427
(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 |r,wU:7.10,1.0,wD:4.3,(7.35,-2.65,;7.35,-1.11,;6.02,-.34,;4.68,-1.11,;3.35,-.34,;3.35,1.2,;2.02,1.97,;.68,1.2,;.68,-.34,;2.02,-1.11,;-.65,1.97,;-1.98,1.2,;-2.15,-.33,;-3.65,-.65,;-4.42,-1.98,;-5.96,-1.98,;-6.73,-3.32,;-6.73,-.65,;-8.27,-.65,;-9.04,-1.98,;-10.58,-1.98,;-11.35,-3.32,;-11.35,-.65,;-5.96,.68,;-6.73,2.02,;-4.42,.68,;-3.39,1.83,;-3.79,3.32,;8.68,-.34,;10.02,-1.11,;11.35,-.34,;10.02,-2.65,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307433
(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 |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-3.32,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307454
(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 |r| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307462
(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 |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307487
(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 |r,wU:7.10,1.0,wD:4.3,(6.2,-2.54,;6.2,-1,;4.86,-.23,;3.53,-1,;2.2,-.23,;2.2,1.31,;.86,2.08,;-.47,1.31,;-.47,-.23,;.86,-1,;-1.81,2.08,;-3.14,1.31,;-3.3,-.23,;-4.81,-.55,;-5.58,-1.88,;-4.81,-3.21,;-7.12,-1.88,;-7.89,-.55,;-9.43,-.55,;-10.2,-1.88,;-11.53,-2.65,;-10.2,-3.42,;-7.12,.79,;-7.89,2.12,;-5.58,.79,;-4.55,1.93,;-4.95,3.42,;7.53,-.23,;8.86,-1,;8.86,-2.54,;10.2,-.23,;11.53,-1,;11.53,-2.54,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307491
(US10150728, Example I-734)Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)cc2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307504
(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 |r,wU:4.3,1.0,wD:7.10,(7.35,-2.65,;7.35,-1.11,;6.02,-.34,;4.68,-1.11,;3.35,-.34,;2.02,-1.11,;.68,-.34,;.68,1.2,;2.02,1.97,;3.35,1.2,;-.65,1.97,;-1.98,1.2,;-2.15,-.33,;-3.65,-.65,;-4.42,-1.98,;-3.65,-3.32,;-5.96,-1.98,;-6.73,-.65,;-8.27,-.65,;-9.04,-1.98,;-10.58,-1.98,;-11.35,-.65,;-11.35,-3.32,;-5.96,.68,;-6.73,2.02,;-4.42,.68,;-3.39,1.83,;-3.79,3.32,;8.68,-.34,;10.02,-1.11,;11.35,-.34,;10.02,-2.65,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM306960
(US10150728, Example I-173)Show SMILES CC(C)Oc1nc2ccc(OC[C@H]3C[C@@H](C3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:12.11,18.19,wD:14.16,(-8.29,7.66,;-7.89,6.17,;-8.98,5.08,;-6.4,5.77,;-6,4.28,;-6.97,3.09,;-6.13,1.8,;-6.53,.31,;-5.44,-.78,;-3.96,-.38,;-2.87,-1.47,;-1.38,-1.07,;-.29,-2.16,;1.25,-2.16,;1.25,-3.7,;-.29,-3.7,;2.34,-4.79,;3.83,-4.39,;4.91,-5.48,;4.52,-6.97,;6.4,-5.08,;7.49,-6.17,;8.98,-5.77,;7.09,-7.66,;-3.56,1.11,;-4.65,2.19,;-4.57,3.73,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM306973
(US10150728, Example I-186)Show SMILES CCOc1nc2cc(F)c(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:14.17,19.20,wD:11.10,(-8.25,3.8,;-9.59,3.03,;-9.59,1.49,;-8.25,.72,;-8.09,-.81,;-6.58,-1.13,;-5.81,-2.47,;-4.27,-2.47,;-3.5,-3.8,;-3.5,-1.13,;-1.96,-1.13,;-.42,-1.13,;.35,-2.47,;1.89,-2.47,;2.66,-1.13,;1.89,.2,;.35,.2,;4.2,-1.13,;4.97,.2,;6.51,.2,;7.28,-1.13,;7.28,1.54,;8.82,1.54,;9.59,2.87,;9.59,.2,;-4.27,.2,;-5.81,.2,;-6.84,1.35,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM306985
(US10150728, Example I-198)Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ccc3nc(OCC4(C)CC4)sc3n2)C1)NC(C)=O |r,wU:6.6,1.0,wD:4.3,(8.23,-3.8,;7.84,-2.31,;6.35,-1.91,;5.26,-3,;3.77,-2.6,;3,-1.27,;1.67,-2.04,;.18,-1.64,;-.91,-2.73,;-2.4,-2.33,;-3.48,-3.42,;-4.97,-3.02,;-5.37,-1.53,;-6.74,-.83,;-6.5,.69,;-7.59,1.78,;-9.08,1.38,;-10.17,2.47,;-11.5,1.7,;-9.4,3.8,;-10.94,3.8,;-4.98,.93,;-4.28,-.45,;-2.79,-.84,;2.44,-3.37,;8.92,-1.22,;10.41,-1.62,;11.5,-.53,;10.81,-3.11,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307399
(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 |r| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307430
(US10150728, Example I-662)Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OCC3CC3)c(Cl)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.63,-2.93,;7.63,-1.39,;6.3,-.62,;4.97,-1.39,;3.63,-.62,;3.63,.92,;2.3,1.69,;.96,.92,;.96,-.62,;2.3,-1.39,;-.37,1.69,;-1.7,.92,;-1.86,-.61,;-3.37,-.93,;-4.14,-2.26,;-5.68,-2.26,;-6.45,-.93,;-7.99,-.93,;-8.76,-2.26,;-10.3,-2.26,;-11.63,-1.49,;-11.63,-3.03,;-5.68,.4,;-6.45,1.74,;-4.14,.4,;-3.11,1.55,;-3.51,3.03,;8.97,-.62,;10.3,-1.39,;11.63,-.62,;10.3,-2.93,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307448
(US10150728, Example I-682)Show SMILES C[C@@H](CC[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OC3CC3)c(Cl)c2n1C)NC(N)=O |r,wU:4.3,1.0,wD:7.10,(7.39,-3.85,;7.39,-2.31,;6.06,-1.54,;4.73,-2.31,;3.39,-1.54,;2.06,-2.31,;.72,-1.54,;.72,,;2.06,.77,;3.39,,;-.61,.77,;-2.15,.77,;-3.05,-.48,;-4.52,,;-5.85,-.77,;-7.19,,;-7.19,1.54,;-8.52,2.31,;-9.85,1.54,;-11.39,1.54,;-10.62,.21,;-5.85,2.31,;-5.85,3.85,;-4.52,1.54,;-3.05,2.02,;-2.28,3.35,;8.73,-1.54,;10.06,-2.31,;11.39,-1.54,;10.06,-3.85,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307452
(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 |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-3.32,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307471
(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 |r,wU:7.10,1.0,wD:4.3,(8.3,-2.16,;8.3,-.62,;6.97,.15,;5.63,-.62,;4.3,.15,;4.3,1.69,;2.97,2.46,;1.63,1.69,;1.63,.15,;2.97,-.62,;.3,2.46,;-1.04,1.69,;-1.2,.16,;-2.7,-.16,;-3.47,-1.49,;-5.01,-1.49,;-5.78,-.16,;-7.32,-.16,;-8.09,-1.49,;-9.63,-1.49,;-10.97,-.72,;-10.97,-2.26,;-10.97,-3.8,;-12.3,-3.03,;-5.01,1.17,;-5.78,2.51,;-3.47,1.17,;-2.44,2.32,;-2.84,3.8,;9.63,.15,;10.97,-.62,;12.3,.15,;10.97,-2.16,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307397
(US10150728, Example I-625)Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OCC3CC3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.63,-2.93,;7.63,-1.39,;6.3,-.62,;4.97,-1.39,;3.63,-.62,;3.63,.92,;2.3,1.69,;.96,.92,;.96,-.62,;2.3,-1.39,;-.37,1.69,;-1.7,.92,;-1.86,-.61,;-3.37,-.93,;-4.14,-2.26,;-5.68,-2.26,;-6.45,-.93,;-7.99,-.93,;-8.76,-2.26,;-10.3,-2.26,;-11.63,-1.49,;-11.63,-3.03,;-5.68,.4,;-6.45,1.74,;-4.14,.4,;-3.11,1.55,;-3.51,3.03,;8.97,-.62,;10.3,-1.39,;11.63,-.62,;10.3,-2.93,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM306957
(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 |r,wU:6.6,1.0,wD:4.3,(5.04,-7.65,;5.43,-6.17,;4.35,-5.08,;2.86,-5.48,;1.77,-4.39,;1.77,-2.85,;.23,-2.85,;-.86,-1.76,;-2.35,-2.16,;-3.44,-1.07,;-4.9,-1.54,;-6.05,-.51,;-5.73,.99,;-6.63,2.24,;-5.73,3.48,;-6.12,4.97,;-7.61,5.37,;-8.01,6.86,;-9.5,7.26,;-6.92,7.95,;-8.41,8.35,;-4.26,3.01,;-4.26,1.47,;-3.12,.44,;.23,-4.39,;6.92,-5.77,;8.01,-6.86,;9.5,-6.46,;7.61,-8.35,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM306964
(US10150728, Example I-177)Show SMILES CCOc1nc2ccc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)cc2s1 |r,wU:13.16,18.19,wD:10.9,(-8.25,3.13,;-9.59,2.36,;-9.59,.82,;-8.25,.05,;-8.09,-1.48,;-6.58,-1.8,;-5.81,-3.13,;-4.27,-3.13,;-3.5,-1.8,;-1.96,-1.8,;-.42,-1.8,;.35,-3.13,;1.89,-3.13,;2.66,-1.8,;1.89,-.47,;.35,-.47,;4.2,-1.8,;4.97,-.47,;6.51,-.47,;7.28,-1.8,;7.28,.87,;8.82,.87,;9.59,2.2,;9.59,-.47,;-4.27,-.47,;-5.81,-.47,;-6.84,.68,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM306997
(US10150728, Example I-210)Show SMILES CCOc1nc2cnc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)c(F)c2s1 |r,wU:13.16,18.19,wD:10.9,(-10.15,-4.65,;-8.82,-3.88,;-7.48,-4.65,;-6.15,-3.88,;-4.74,-4.5,;-3.71,-3.36,;-2.17,-3.36,;-1.4,-2.02,;-2.17,-.69,;-1.4,.64,;.14,.64,;.91,-.69,;2.45,-.69,;3.22,.64,;2.45,1.98,;.91,1.98,;4.76,.64,;5.53,1.98,;7.07,1.98,;7.84,.64,;7.84,3.31,;9.38,3.31,;10.15,4.65,;10.15,1.98,;-3.71,-.69,;-4.48,.64,;-4.48,-2.02,;-5.99,-2.34,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307083
(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 |r,wU:6.6,1.0,wD:4.3,16.15,18.18,(8.14,-4.65,;7.74,-3.16,;6.25,-2.76,;5.16,-3.85,;3.68,-3.45,;2.91,-2.12,;1.57,-2.89,;.08,-2.49,;-1,-3.58,;-2.49,-3.18,;-3.58,-4.27,;-5.07,-3.87,;-5.47,-2.38,;-6.84,-1.68,;-6.6,-.16,;-7.69,.93,;-8.78,2.02,;-10.32,2.02,;-10.32,3.56,;-11.41,4.65,;-8.78,3.56,;-5.08,.08,;-4.38,-1.29,;-2.89,-1.69,;2.34,-4.22,;8.83,-2.07,;10.32,-2.47,;11.41,-1.38,;10.71,-3.96,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307095
(US10150728, Example I-308)Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ccc3nc(OCC4CC4)sc3n2)C1)NC(C)=O |r,wU:6.6,1.0,wD:4.3,(8.31,-3.88,;7.91,-2.39,;6.43,-1.99,;5.34,-3.08,;3.85,-2.68,;3.08,-1.35,;1.75,-2.12,;.26,-1.72,;-.83,-2.81,;-2.32,-2.41,;-3.41,-3.5,;-4.9,-3.1,;-5.29,-1.61,;-6.67,-.91,;-6.43,.61,;-7.51,1.7,;-9,1.3,;-10.09,2.39,;-10.49,3.88,;-11.58,2.79,;-4.9,.85,;-4.21,-.52,;-2.72,-.92,;2.52,-3.45,;9,-1.3,;10.49,-1.7,;11.58,-.61,;10.89,-3.19,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307318
(US10150728, Example I-532)Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1ncc(cc1C)-c1ncc(F)cn1)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,;2.67,-.38,;2.67,1.15,;1.33,1.93,;,1.15,;,-.38,;1.33,-1.15,;-1.33,1.93,;-2.67,1.15,;-2.67,-.38,;-4,-1.15,;-5.33,-.38,;-5.33,1.15,;-4,1.93,;-4,3.47,;-6.67,-1.15,;-8,-.38,;-9.34,-1.15,;-9.34,-2.69,;-10.67,-3.47,;-8,-3.47,;-6.67,-2.69,;8,-.38,;9.34,-1.15,;10.67,-.38,;9.34,-2.69,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307307
(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 |r,wU:7.10,1.0,wD:4.3,(6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,;2.67,-.38,;2.67,1.15,;1.33,1.93,;,1.15,;,-.38,;1.33,-1.15,;-1.33,1.93,;-2.67,1.15,;-2.67,-.38,;-4,-1.15,;-5.33,-.38,;-5.33,1.15,;-4,1.93,;-4,3.47,;-6.67,-1.15,;-8,-.38,;-9.34,-1.15,;-9.34,-2.69,;-10.67,-3.47,;-8,-3.47,;-6.67,-2.69,;8,-.38,;9.34,-1.15,;10.67,-.38,;9.34,-2.69,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307378
(US10150728, Example I-604)Show SMILES CCOc1ccc2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1Cl |r,wU:10.9,18.19,wD:13.16,(-10.75,-3.02,;-9.22,-2.85,;-8.59,-1.45,;-7.06,-1.29,;-6.15,-2.53,;-4.62,-2.37,;-4,-.96,;-2.53,-.49,;-2.53,1.05,;-1.44,2.14,;.04,1.74,;1.13,2.83,;2.62,2.43,;3.02,.94,;1.93,-.14,;.44,.25,;4.51,.55,;5.6,1.63,;7.08,1.24,;7.48,-.25,;8.17,2.33,;9.66,1.93,;10.75,3.02,;10.06,.44,;-4,1.53,;-4.77,2.86,;-4.9,.28,;-6.43,.12,;-7.34,1.37,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307398
(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 |r,wU:7.10,1.0,wD:4.3,(7.63,-2.65,;7.63,-1.11,;6.3,-.34,;4.97,-1.11,;3.63,-.34,;3.63,1.2,;2.3,1.97,;.96,1.2,;.96,-.34,;2.3,-1.11,;-.37,1.97,;-1.7,1.2,;-1.86,-.33,;-3.37,-.65,;-4.14,-1.98,;-3.37,-3.32,;-5.68,-1.98,;-6.45,-.65,;-7.99,-.65,;-8.76,-1.98,;-10.3,-1.98,;-11.63,-1.21,;-11.63,-2.75,;-5.68,.68,;-6.45,2.02,;-4.14,.68,;-3.11,1.83,;-3.51,3.32,;8.97,-.34,;10.3,-1.11,;11.63,-.34,;10.3,-2.65,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307417
(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 |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-3.32,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307473
(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 |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 2
(Homo sapiens (Human)) | BDBM307450
(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 |r| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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)
BindingDB Entry DOI: 10.7270/Q2WD42M7 |
More data for this Ligand-Target Pair | |