Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2513   

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))	BDBM369707 (US10233156, Example I-247) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(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,;-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/C22H30FN3O4/c1-13(24-14(2)27)12-28-15-4-6-17(7-5-15)30-22-25-18-10-11-19(29-16-8-9-16)20(23)21(18)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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369665 (US10233156, Example I-205) Show SMILES CC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC(F)F)c(Cl)c2n1C |r,wU:9.8,4.3,wD:12.15,(11.35,-.29,;10.02,-1.06,;10.02,-2.6,;8.68,-.29,;7.35,-1.06,;7.35,-2.6,;6.02,-3.37,;6.02,-.29,;4.68,-1.06,;3.35,-.29,;2.02,-1.06,;.68,-.29,;.68,1.25,;2.02,2.02,;3.35,1.25,;-.65,2.02,;-1.98,1.25,;-2.15,-.28,;-3.65,-.6,;-4.42,-1.93,;-3.65,-3.27,;-5.96,-1.93,;-6.73,-.6,;-8.27,-.6,;-9.04,-1.93,;-10.58,-1.93,;-11.35,-3.27,;-11.35,-.6,;-5.96,.73,;-6.73,2.07,;-4.42,.73,;-3.39,1.88,;-3.79,3.37,)| Show InChI InChI=1S/C21H26ClF4N3O4/c1-11(30)27-12(8-23)9-31-13-3-5-14(6-4-13)33-21-28-19-15(24)7-16(32-10-17(25)26)18(22)20(19)29(21)2/h7,12-14,17H,3-6,8-10H2,1-2H3,(H,27,30)/t12-,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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369662 (US10233156, Example I-201) Show SMILES CC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)cc2n1C |r,wU:9.8,4.3,wD:12.15,(10.86,-.23,;9.53,-1,;9.53,-2.54,;8.2,-.23,;6.86,-1,;6.86,-2.54,;5.53,-3.31,;5.53,-.23,;4.2,-1,;2.86,-.23,;1.53,-1,;.19,-.23,;.19,1.31,;1.53,2.08,;2.86,1.31,;-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,)| Show InChI InChI=1S/C22H29F2N3O4/c1-13(28)25-14(11-23)12-29-15-3-5-17(6-4-15)31-22-26-21-19(24)9-18(30-16-7-8-16)10-20(21)27(22)2/h9-10,14-17H,3-8,11-12H2,1-2H3,(H,25,28)/t14-,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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369655 (US10233156, Example I-194) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CCC3)cc2n1C)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,;-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/C23H32FN3O4/c1-14(25-15(2)28)13-29-16-7-9-18(10-8-16)31-23-26-22-20(24)11-19(12-21(22)27(23)3)30-17-5-4-6-17/h11-12,14,16-18H,4-10,13H2,1-3H3,(H,25,28)/t14-,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	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369659 (US10233156, Example I-198) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(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,;-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/C21H29FN4O4/c1-12(24-20(23)27)11-28-13-3-5-15(6-4-13)30-21-25-16-9-10-17(29-14-7-8-14)18(22)19(16)26(21)2/h9-10,12-15H,3-8,11H2,1-2H3,(H3,23,24,27)/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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369669 (US10233156, Example I-209) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)c(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,;-3.65,-3.32,;-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/C21H26F5N3O4/c1-10(27-11(2)30)8-31-12-4-6-13(7-5-12)33-21-28-18-15(24)16(25)20(32-9-14(22)23)17(26)19(18)29(21)3/h10,12-14H,4-9H2,1-3H3,(H,27,30)/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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369667 (US10233156, Example I-207) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(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,;-6.45,-1.88,;-7.22,-3.21,;-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)31-22-26-18-10-17(23)21(30-15-8-9-15)19(24)20(18)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	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369703 (US10233156, Example I-243) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)cc2n1C)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,;-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/C21H29FN4O4/c1-12(24-20(23)27)11-28-13-3-5-15(6-4-13)30-21-25-19-17(22)9-16(29-14-7-8-14)10-18(19)26(21)2/h9-10,12-15H,3-8,11H2,1-2H3,(H3,23,24,27)/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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369686 (US10233156, Example I-226) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(cc(OC3CCC3)c(F)c2n1C)C#N)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.94,-1.98,;6.94,-.44,;5.61,.33,;4.27,-.44,;2.94,.33,;2.94,1.87,;1.61,2.64,;.27,1.87,;.27,.33,;1.61,-.44,;-1.06,2.64,;-2.4,1.87,;-2.56,.34,;-4.06,.02,;-4.83,-1.32,;-6.37,-1.32,;-7.14,.02,;-8.68,.02,;-9.45,-1.32,;-10.94,-1.71,;-10.54,-3.2,;-9.05,-2.8,;-6.37,1.35,;-7.14,2.69,;-4.83,1.35,;-3.8,2.5,;-4.2,3.98,;-4.06,-2.65,;-3.29,-3.98,;8.27,.33,;9.61,-.44,;10.94,.33,;9.61,-1.98,)| Show InChI InChI=1S/C24H31FN4O4/c1-14(27-15(2)30)13-31-17-7-9-19(10-8-17)33-24-28-22-16(12-26)11-20(32-18-5-4-6-18)21(25)23(22)29(24)3/h11,14,17-19H,4-10,13H2,1-3H3,(H,27,30)/t14-,17-,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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369661 (US10233156, Example I-200) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(Cl)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/C22H30ClN3O4/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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369709 (US10233156, Example I-249) Show SMILES C[C@@H](CC[C@H]1OC[C@@H](CO1)Oc1nc2c(F)cc(OC3CC3)cc2n1C)NC(C)=O |r,wU:7.10,wD:4.3,1.0,(6.75,2.23,;6.75,.69,;5.42,-.08,;4.09,.69,;2.75,-.08,;1.42,.69,;.08,-.08,;.08,-1.62,;1.42,-2.39,;2.75,-1.62,;-1.25,-2.39,;-2.58,-1.62,;-2.58,-.08,;-4.05,.39,;-4.67,1.8,;-3.9,3.13,;-6.21,1.96,;-7.11,.71,;-8.65,.71,;-9.42,2.05,;-9.42,3.59,;-10.75,2.82,;-6.48,-.69,;-4.95,-.85,;-4.05,-2.1,;-4.45,-3.59,;8.09,-.08,;9.42,.69,;9.42,2.23,;10.75,-.08,)| Show InChI InChI=1S/C21H28FN3O5/c1-12(23-13(2)26)4-7-19-27-10-16(11-28-19)30-21-24-20-17(22)8-15(29-14-5-6-14)9-18(20)25(21)3/h8-9,12,14,16,19H,4-7,10-11H2,1-3H3,(H,23,26)/t12-,16-,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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369670 (US10233156, Example I-210) Show SMILES CC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OC3CC3)c(F)c2n1C |r,wU:9.8,4.3,wD:12.15,(10.86,-.23,;9.53,-1,;9.53,-2.54,;8.2,-.23,;6.86,-1,;6.86,-2.54,;5.53,-3.31,;5.53,-.23,;4.2,-1,;2.86,-.23,;1.53,-1,;.19,-.23,;.19,1.31,;1.53,2.08,;2.86,1.31,;-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,)| Show InChI InChI=1S/C21H28F2N4O4/c1-12(28)25-13(9-22)11-29-14-3-5-16(6-4-14)31-21-26-17-10-24-20(30-15-7-8-15)18(23)19(17)27(21)2/h10,13-16H,3-9,11H2,1-2H3,(H,25,28)/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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307498 (US10150728, Example I-741 | US10233156, Example I-...) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(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,;-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/C21H27F4N3O4/c1-11(26-12(2)29)9-30-13-4-6-14(7-5-13)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	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369673 (US10233156, Example I-213) Show SMILES Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(N)=O)nc2c(F)cc(OC3CC3)cc12 |r,wU:4.3,12.15,wD:7.10,(-4.28,3.42,;-3.88,1.93,;-2.47,1.31,;-1.14,2.08,;.19,1.31,;1.53,2.08,;2.86,1.31,;2.86,-.23,;1.53,-1,;.19,-.23,;4.2,-1,;5.53,-.23,;6.86,-1,;6.86,-2.54,;8.2,-3.31,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,;-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,)| Show InChI InChI=1S/C21H28F2N4O4/c1-27-18-9-16(30-14-6-7-14)8-17(23)19(18)26-21(27)31-15-4-2-13(3-5-15)29-11-12(10-22)25-20(24)28/h8-9,12-15H,2-7,10-11H2,1H3,(H3,24,25,28)/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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369681 (US10233156, Example I-221) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(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,;-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/C22H31N3O4/c1-14(23-15(2)26)13-27-16-4-6-18(7-5-16)29-22-24-20-11-10-19(28-17-8-9-17)12-21(20)25(22)3/h10-12,14,16-18H,4-9,13H2,1-3H3,(H,23,26)/t14-,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	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369701 (US10233156, Example I-241) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(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,;-6.45,-1.88,;-7.22,-3.21,;-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)31-21-26-16-9-15(22)19(30-13-7-8-13)17(23)18(16)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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369696 (US10233156, Example I-236) Show SMILES C[C@@H](CCC1OC[C@@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C)NC(N)=O |r,wU:7.10,1.0,(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,-.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/C19H24F4N4O5/c1-9(25-18(24)28)3-4-14-30-6-10(7-31-14)32-19-26-16-11(20)5-12(29-8-13(21)22)15(23)17(16)27(19)2/h5,9-10,13-14H,3-4,6-8H2,1-2H3,(H3,24,25,28)/t9-,10-,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	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369691 (US10233156, Example I-231) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC(F)F)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.97,-2.65,;6.97,-1.11,;5.63,-.34,;4.3,-1.11,;2.97,-.34,;2.97,1.2,;1.63,1.97,;.3,1.2,;.3,-.34,;1.63,-1.11,;-1.04,1.97,;-2.37,1.2,;-2.53,-.33,;-4.04,-.65,;-4.81,-1.98,;-4.04,-3.32,;-6.35,-1.98,;-7.12,-.65,;-8.66,-.65,;-9.43,-1.98,;-10.97,-1.98,;-8.66,-3.32,;-6.35,.68,;-7.12,2.02,;-4.81,.68,;-3.78,1.83,;-4.18,3.32,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,)| Show InChI InChI=1S/C20H25F4N3O4/c1-10(25-11(2)28)9-29-12-4-6-13(7-5-12)30-20-26-17-14(21)8-15(31-19(23)24)16(22)18(17)27(20)3/h8,10,12-13,19H,4-7,9H2,1-3H3,(H,25,28)/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369657 (US10233156, Example I-196) Show SMILES C[C@@H](CC[C@H]1OC[C@@H](C[C@@H]1F)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C)NC(C)=O |r| Show InChI InChI=1S/C21H26F5N3O4/c1-10(27-11(2)30)4-5-15-13(22)6-12(8-31-15)33-21-28-19-14(23)7-16(32-9-17(24)25)18(26)20(19)29(21)3/h7,10,12-13,15,17H,4-6,8-9H2,1-3H3,(H,27,30)/t10-,12+,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	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369692 (US10233156, Example I-232) Show SMILES Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(N)=O)nc2c(F)cc(OCC(F)F)c(F)c12 |r,wU:7.10,12.15,wD:4.3,(-3.79,3.37,;-3.39,1.88,;-1.98,1.25,;-.65,2.02,;.68,1.25,;.68,-.29,;2.02,-1.06,;3.35,-.29,;3.35,1.25,;2.02,2.02,;4.68,-1.06,;6.02,-.29,;7.35,-1.06,;7.35,-2.6,;6.02,-3.37,;8.68,-.29,;10.02,-1.06,;11.35,-.29,;10.02,-2.6,;-2.15,-.28,;-3.65,-.6,;-4.42,-1.93,;-3.65,-3.27,;-5.96,-1.93,;-6.73,-.6,;-8.27,-.6,;-9.04,-1.93,;-10.58,-1.93,;-11.35,-3.27,;-11.35,-.6,;-5.96,.73,;-6.73,2.07,;-4.42,.73,)| Show InChI InChI=1S/C20H25F5N4O4/c1-29-18-16(25)14(32-9-15(23)24)6-13(22)17(18)28-20(29)33-12-4-2-11(3-5-12)31-8-10(7-21)27-19(26)30/h6,10-12,15H,2-5,7-9H2,1H3,(H3,26,27,30)/t10-,11-,12-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369679 (US10233156, Example I-219) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3COC3)c(Cl)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/C22H29ClFN3O5/c1-12(25-13(2)28)9-30-14-4-6-15(7-5-14)32-22-26-20-17(24)8-18(31-16-10-29-11-16)19(23)21(20)27(22)3/h8,12,14-16H,4-7,9-11H2,1-3H3,(H,25,28)/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369697 (US10233156, Example I-237) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(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,;-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/C20H28FN5O4/c1-11(24-19(22)27)10-28-12-3-5-14(6-4-12)30-20-25-15-9-23-18(29-13-7-8-13)16(21)17(15)26(20)2/h9,11-14H,3-8,10H2,1-2H3,(H3,22,24,27)/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369666 (US10233156, Example I-206) Show SMILES CC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(cc(OC3CC3)c(F)c2n1C)C#N |r,wU:9.8,4.3,wD:12.15,(10.86,.33,;9.53,-.44,;9.53,-1.98,;8.2,.33,;6.86,-.44,;6.86,-1.98,;5.53,-2.75,;5.53,.33,;4.2,-.44,;2.86,.33,;1.53,-.44,;.19,.33,;.19,1.87,;1.53,2.64,;2.86,1.87,;-1.14,2.64,;-2.47,1.87,;-2.63,.34,;-4.14,.02,;-4.91,-1.32,;-6.45,-1.32,;-7.22,.02,;-8.76,.02,;-9.53,-1.32,;-10.86,-2.09,;-9.53,-2.86,;-6.45,1.35,;-7.22,2.69,;-4.91,1.35,;-3.88,2.5,;-4.28,3.98,;-4.14,-2.65,;-3.37,-3.98,)| Show InChI InChI=1S/C23H28F2N4O4/c1-13(30)27-15(10-24)12-31-16-3-5-18(6-4-16)33-23-28-21-14(11-26)9-19(32-17-7-8-17)20(25)22(21)29(23)2/h9,15-18H,3-8,10,12H2,1-2H3,(H,27,30)/t15-,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	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369674 (US10233156, Example I-214) Show SMILES C[C@H](NC(C)=O)C(F)(F)C[C@H]1CC[C@@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C |r| Show InChI InChI=1S/C21H25F6N3O4/c1-10(28-11(2)31)21(26,27)7-12-4-5-13(8-32-12)34-20-29-18-14(22)6-15(33-9-16(23)24)17(25)19(18)30(20)3/h6,10,12-13,16H,4-5,7-9H2,1-3H3,(H,28,31)/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369694 (US10233156, Example I-234) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(OC3CC3)nc2n1C)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,;-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/C21H30N4O4/c1-13(22-14(2)26)12-27-15-4-6-17(7-5-15)29-21-23-18-10-11-19(28-16-8-9-16)24-20(18)25(21)3/h10-11,13,15-17H,4-9,12H2,1-3H3,(H,22,26)/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369658 (US10233156, Example I-197) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(OC3CC3)cc2n1C)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,;-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/C21H30N4O4/c1-13(23-20(22)26)12-27-14-3-5-16(6-4-14)29-21-24-18-10-9-17(28-15-7-8-15)11-19(18)25(21)2/h9-11,13-16H,3-8,12H2,1-2H3,(H3,22,23,26)/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369688 (US10233156, Example I-228) Show SMILES C[C@@H](CC[C@H]1OC[C@@H](CC1(F)F)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C)NC(C)=O |r| Show InChI InChI=1S/C21H25F6N3O4/c1-10(28-11(2)31)4-5-15-21(26,27)7-12(8-33-15)34-20-29-18-13(22)6-14(32-9-16(23)24)17(25)19(18)30(20)3/h6,10,12,15-16H,4-5,7-9H2,1-3H3,(H,28,31)/t10-,12+,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	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369663 (US10233156, Example I-202) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(OC3(C)CC3)cc2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.94,-2.54,;6.94,-1,;5.61,-.23,;4.27,-1,;2.94,-.23,;2.94,1.31,;1.61,2.08,;.27,1.31,;.27,-.23,;1.61,-1,;-1.06,2.08,;-2.4,1.31,;-2.56,-.23,;-4.06,-.55,;-4.83,-1.88,;-6.37,-1.88,;-7.14,-.55,;-8.68,-.55,;-9.45,-1.88,;-10.94,-1.48,;-10.79,-2.65,;-9.45,-3.42,;-6.37,.79,;-4.83,.79,;-3.8,1.93,;-4.2,3.42,;8.27,-.23,;9.61,-1,;10.94,-.23,;9.61,-2.54,)| Show InChI InChI=1S/C23H33N3O4/c1-15(24-16(2)27)14-28-17-5-7-18(8-6-17)29-22-25-20-10-9-19(13-21(20)26(22)4)30-23(3)11-12-23/h9-10,13,15,17-18H,5-8,11-12,14H2,1-4H3,(H,24,27)/t15-,17-,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	17	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369675 (US10233156, Example I-215) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(F)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(5.81,-2.65,;5.81,-1.11,;4.48,-.34,;3.14,-1.11,;1.81,-.34,;1.81,1.2,;.48,1.97,;-.86,1.2,;-.86,-.34,;.48,-1.11,;-2.19,1.97,;-3.52,1.2,;-3.69,-.33,;-5.19,-.65,;-5.96,-1.98,;-7.5,-1.98,;-8.27,-3.32,;-8.27,-.65,;-9.81,-.65,;-7.5,.68,;-8.27,2.02,;-5.96,.68,;-4.93,1.83,;-5.33,3.32,;7.14,-.34,;8.48,-1.11,;9.81,-.34,;8.48,-2.65,)| Show InChI InChI=1S/C19H24F3N3O3/c1-10(23-11(2)26)9-27-12-4-6-13(7-5-12)28-19-24-15-8-14(20)16(21)17(22)18(15)25(19)3/h8,10,12-13H,4-7,9H2,1-3H3,(H,23,26)/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	17	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369682 (US10233156, Example I-222) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(Cl)cc(OC3CC3)cc2n1C)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,;-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/C21H29ClN4O4/c1-12(24-20(23)27)11-28-13-3-5-15(6-4-13)30-21-25-19-17(22)9-16(29-14-7-8-14)10-18(19)26(21)2/h9-10,12-15H,3-8,11H2,1-2H3,(H3,23,24,27)/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	17	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369710 (US10233156, Example I-250) Show SMILES C[C@H](NC(C)=O)\C=C(/F)[C@@H]1CC[C@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C |r| Show InChI InChI=1S/C21H24F5N3O4/c1-10(27-11(2)30)6-13(22)15-5-4-12(8-31-15)33-21-28-19-14(23)7-16(32-9-17(24)25)18(26)20(19)29(21)3/h6-7,10,12,15,17H,4-5,8-9H2,1-3H3,(H,27,30)/b13-6-/t10-,12+,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	21	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369704 (US10233156, Example I-244) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC(C)(C)C#N)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(8.12,-2.65,;8.12,-1.11,;6.79,-.34,;5.45,-1.11,;4.12,-.34,;4.12,1.2,;2.79,1.97,;1.45,1.2,;1.45,-.34,;2.79,-1.11,;.12,1.97,;-1.21,1.2,;-1.38,-.33,;-2.88,-.65,;-3.65,-1.98,;-2.88,-3.32,;-5.19,-1.98,;-5.96,-.65,;-7.5,-.65,;-8.27,-1.98,;-9.81,-1.98,;-9.81,-.44,;-11.15,-1.21,;-10.58,-3.32,;-12.12,-3.32,;-5.19,.68,;-5.96,2.02,;-3.65,.68,;-2.62,1.83,;-3.02,3.32,;9.45,-.34,;10.79,-1.11,;12.12,-.34,;10.79,-2.65,)| Show InChI InChI=1S/C24H32F2N4O4/c1-14(28-15(2)31)11-32-16-6-8-17(9-7-16)34-23-29-21-18(25)10-19(20(26)22(21)30(23)5)33-13-24(3,4)12-27/h10,14,16-17H,6-9,11,13H2,1-5H3,(H,28,31)/t14-,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	26	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369699 (US10233156, Example I-239) Show SMILES COC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C |r,wU:10.9,5.4,wD:13.16,(12.02,-1.06,;10.69,-.29,;9.35,-1.06,;9.35,-2.6,;8.02,-.29,;6.68,-1.06,;6.68,-2.6,;5.35,-3.37,;5.35,-.29,;4.02,-1.06,;2.68,-.29,;1.35,-1.06,;.02,-.29,;.02,1.25,;1.35,2.02,;2.68,1.25,;-1.32,2.02,;-2.65,1.25,;-2.81,-.28,;-4.32,-.6,;-5.09,-1.93,;-4.32,-3.27,;-6.63,-1.93,;-7.4,-.6,;-8.94,-.6,;-9.71,-1.93,;-11.25,-1.93,;-12.02,-3.27,;-12.02,-.6,;-6.63,.73,;-7.4,2.07,;-5.09,.73,;-4.06,1.88,;-4.46,3.37,)| Show InChI InChI=1S/C21H26F5N3O5/c1-29-19-17(26)15(33-10-16(24)25)7-14(23)18(19)28-20(29)34-13-5-3-12(4-6-13)32-9-11(8-22)27-21(30)31-2/h7,11-13,16H,3-6,8-10H2,1-2H3,(H,27,30)/t11-,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	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369693 (US10233156, Example I-233) Show SMILES Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(=O)C2CC2)nc2c(F)cc(OCC(F)F)c(F)c12 |r,wU:7.10,12.15,wD:4.3,(-4.56,3.37,;-4.16,1.88,;-2.75,1.25,;-1.42,2.02,;-.09,1.25,;-.09,-.29,;1.25,-1.06,;2.58,-.29,;2.58,1.25,;1.25,2.02,;3.91,-1.06,;5.25,-.29,;6.58,-1.06,;6.58,-2.6,;5.25,-3.37,;7.91,-.29,;9.25,-1.06,;9.25,-2.6,;10.58,-.29,;12.12,-.29,;11.35,1.05,;-2.92,-.28,;-4.42,-.6,;-5.19,-1.93,;-4.42,-3.27,;-6.73,-1.93,;-7.5,-.6,;-9.04,-.6,;-9.81,-1.93,;-11.35,-1.93,;-12.12,-3.27,;-12.12,-.6,;-6.73,.73,;-7.5,2.07,;-5.19,.73,)| Show InChI InChI=1S/C23H28F5N3O4/c1-31-21-19(28)17(34-11-18(26)27)8-16(25)20(21)30-23(31)35-15-6-4-14(5-7-15)33-10-13(9-24)29-22(32)12-2-3-12/h8,12-15,18H,2-7,9-11H2,1H3,(H,29,32)/t13-,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	31	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369685 (US10233156, Example I-225) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(cc(OC3CC3)cc2n1C)C#N)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-1.98,;6.86,-.44,;5.53,.33,;4.2,-.44,;2.86,.33,;2.86,1.87,;1.53,2.64,;.19,1.87,;.19,.33,;1.53,-.44,;-1.14,2.64,;-2.47,1.87,;-2.63,.34,;-4.14,.02,;-4.91,-1.32,;-6.45,-1.32,;-7.22,.02,;-8.76,.02,;-9.53,-1.32,;-10.86,-2.09,;-9.53,-2.86,;-6.45,1.35,;-4.91,1.35,;-3.88,2.5,;-4.28,3.98,;-4.14,-2.65,;-4.91,-3.98,;8.2,.33,;9.53,-.44,;10.86,.33,;9.53,-1.98,)| Show InChI InChI=1S/C23H30N4O4/c1-14(25-15(2)28)13-29-17-4-6-19(7-5-17)31-23-26-22-16(12-24)10-20(30-18-8-9-18)11-21(22)27(23)3/h10-11,14,17-19H,4-9,13H2,1-3H3,(H,25,28)/t14-,17-,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	33	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369656 (US10233156, Example I-195) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC3(F)COC3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(8.06,-2.65,;8.06,-1.11,;6.72,-.34,;5.39,-1.11,;4.05,-.34,;4.05,1.2,;2.72,1.97,;1.39,1.2,;1.39,-.34,;2.72,-1.11,;.05,1.97,;-1.28,1.2,;-1.44,-.33,;-2.95,-.65,;-3.72,-1.98,;-2.95,-3.32,;-5.26,-1.98,;-6.03,-.65,;-7.57,-.65,;-8.34,-1.98,;-9.88,-1.98,;-9.88,-.44,;-10.97,-.89,;-12.06,-1.98,;-10.97,-3.07,;-5.26,.68,;-6.03,2.02,;-3.72,.68,;-2.69,1.83,;-3.09,3.32,;9.39,-.34,;10.72,-1.11,;12.06,-.34,;10.72,-2.65,)| Show InChI InChI=1S/C23H30F3N3O5/c1-13(27-14(2)30)9-32-15-4-6-16(7-5-15)34-22-28-20-17(24)8-18(19(25)21(20)29(22)3)33-12-23(26)10-31-11-23/h8,13,15-16H,4-7,9-12H2,1-3H3,(H,27,30)/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	35	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369695 (US10233156, Example I-235) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)c(F)c(F)c(F)c2n1C)NC(N)=O |r,wU:7.10,1.0,wD:4.3,(5.81,-2.65,;5.81,-1.11,;4.48,-.34,;3.14,-1.11,;1.81,-.34,;1.81,1.2,;.48,1.97,;-.86,1.2,;-.86,-.34,;.48,-1.11,;-2.19,1.97,;-3.52,1.2,;-3.69,-.33,;-5.19,-.65,;-5.96,-1.98,;-5.19,-3.32,;-7.5,-1.98,;-8.27,-3.32,;-8.27,-.65,;-9.81,-.65,;-7.5,.68,;-8.27,2.02,;-5.96,.68,;-4.93,1.83,;-5.33,3.32,;7.14,-.34,;8.48,-1.11,;9.81,-.34,;8.48,-2.65,)| Show InChI InChI=1S/C18H22F4N4O3/c1-8(24-17(23)27)7-28-9-3-5-10(6-4-9)29-18-25-15-13(21)11(19)12(20)14(22)16(15)26(18)2/h8-10H,3-7H2,1-2H3,(H3,23,24,27)/t8-,9-,10-/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	43	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369687 (US10233156, Example I-227) Show SMILES Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(=O)CC#N)nc2c(F)cc(OCC(F)F)c(F)c12 |r,wU:7.10,12.15,wD:4.3,(-5.12,3.37,;-4.73,1.88,;-3.32,1.25,;-1.98,2.02,;-.65,1.25,;-.65,-.29,;.68,-1.06,;2.02,-.29,;2.02,1.25,;.68,2.02,;3.35,-1.06,;4.68,-.29,;6.02,-1.06,;6.02,-2.6,;4.68,-3.37,;7.35,-.29,;8.68,-1.06,;8.68,-2.6,;10.02,-.29,;11.35,-1.06,;12.69,-1.83,;-3.48,-.28,;-4.99,-.6,;-5.76,-1.93,;-4.99,-3.27,;-7.3,-1.93,;-8.07,-.6,;-9.61,-.6,;-10.38,-1.93,;-11.92,-1.93,;-12.69,-3.27,;-12.69,-.6,;-7.3,.73,;-8.07,2.07,;-5.76,.73,)| Show InChI InChI=1S/C22H25F5N4O4/c1-31-21-19(27)16(34-11-17(25)26)8-15(24)20(21)30-22(31)35-14-4-2-13(3-5-14)33-10-12(9-23)29-18(32)6-7-28/h8,12-14,17H,2-6,9-11H2,1H3,(H,29,32)/t12-,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	44	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369700 (US10233156, Example I-240) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(OC3CC3)nc2n1C)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,;-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/C20H29N5O4/c1-12(22-19(21)26)11-27-13-3-5-15(6-4-13)29-20-23-16-9-10-17(28-14-7-8-14)24-18(16)25(20)2/h9-10,12-15H,3-8,11H2,1-2H3,(H3,21,22,26)/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	44	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369705 (US10233156, Example I-245) Show SMILES Cn1c(O[C@H]2CC[C@@H](CC2)OC[C@H](CF)NC(=O)CO)nc2c(F)cc(OCC(F)F)c(F)c12 |r,wU:7.10,12.15,wD:4.3,(-4.46,3.37,;-4.06,1.88,;-2.65,1.25,;-1.32,2.02,;.02,1.25,;.02,-.29,;1.35,-1.06,;2.68,-.29,;2.68,1.25,;1.35,2.02,;4.02,-1.06,;5.35,-.29,;6.68,-1.06,;6.68,-2.6,;5.35,-3.37,;8.02,-.29,;9.35,-1.06,;9.35,-2.6,;10.69,-.29,;12.02,-1.06,;-2.81,-.28,;-4.32,-.6,;-5.09,-1.93,;-4.32,-3.27,;-6.63,-1.93,;-7.4,-.6,;-8.94,-.6,;-9.71,-1.93,;-11.25,-1.93,;-12.02,-.6,;-12.02,-3.27,;-6.63,.73,;-7.4,2.07,;-5.09,.73,)| Show InChI InChI=1S/C21H26F5N3O5/c1-29-20-18(26)15(33-10-16(24)25)6-14(23)19(20)28-21(29)34-13-4-2-12(3-5-13)32-9-11(7-22)27-17(31)8-30/h6,11-13,16,30H,2-5,7-10H2,1H3,(H,27,31)/t11-,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	53	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369672 (US10233156, Example I-212) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(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,;-6.45,-1.88,;-7.22,-3.21,;-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)30-22-25-19-10-18(23)21(29-16-8-9-16)11-20(19)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	55	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369676 (US10233156, Example I-216) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC4(COC4)C3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.48,-1.43,;7.48,.11,;6.15,.88,;4.82,.11,;3.48,.88,;3.48,2.42,;2.15,3.19,;.82,2.42,;.82,.88,;2.15,.11,;-.52,3.19,;-1.85,2.42,;-2.01,.89,;-3.52,.57,;-4.29,-.76,;-3.52,-2.1,;-5.83,-.76,;-6.6,.57,;-8.14,.57,;-8.91,-.76,;-10.4,-1.16,;-10,-2.65,;-11.49,-3.05,;-11.09,-4.54,;-9.6,-4.14,;-8.51,-2.25,;-5.83,1.9,;-6.6,3.24,;-4.29,1.9,;-3.26,3.05,;-3.66,4.54,;8.82,.88,;10.15,.11,;11.49,.88,;10.15,-1.43,)| Show InChI InChI=1S/C25H33F2N3O5/c1-14(28-15(2)31)11-33-16-4-6-17(7-5-16)35-24-29-22-19(26)8-20(21(27)23(22)30(24)3)34-18-9-25(10-18)12-32-13-25/h8,14,16-18H,4-7,9-13H2,1-3H3,(H,28,31)/t14-,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	57	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369677 (US10233156, Example I-217) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(Cl)cc2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(5.81,-2.65,;5.81,-1.11,;4.48,-.34,;3.14,-1.11,;1.81,-.34,;1.81,1.2,;.48,1.97,;-.86,1.2,;-.86,-.34,;.48,-1.11,;-2.19,1.97,;-3.52,1.2,;-3.69,-.33,;-5.19,-.65,;-5.96,-1.98,;-7.5,-1.98,;-8.27,-3.32,;-8.27,-.65,;-9.81,-.65,;-7.5,.68,;-5.96,.68,;-4.93,1.83,;-5.33,3.32,;7.14,-.34,;8.48,-1.11,;9.81,-.34,;8.48,-2.65,)| Show InChI InChI=1S/C19H25ClFN3O3/c1-11(22-12(2)25)10-26-13-4-6-14(7-5-13)27-19-23-17-9-16(21)15(20)8-18(17)24(19)3/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,22,25)/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	64	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369706 (US10233156, Example I-246) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(O[C@@H]3C[C@H](O)C3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:19.19,4.3,21.22,(7.13,-1.7,;7.13,-.16,;5.79,.61,;4.46,-.16,;3.12,.61,;3.12,2.15,;1.79,2.92,;.46,2.15,;.46,.61,;1.79,-.16,;-.88,2.92,;-2.21,2.15,;-2.37,.61,;-3.88,.29,;-4.65,-1.04,;-3.88,-2.37,;-6.19,-1.04,;-6.96,.29,;-8.5,.29,;-9.27,-1.04,;-8.87,-2.53,;-10.36,-2.93,;-11.13,-4.26,;-10.76,-1.44,;-6.19,1.63,;-6.96,2.96,;-4.65,1.63,;-3.62,2.77,;-4.02,4.26,;8.46,.61,;9.79,-.16,;11.13,.61,;9.79,-1.7,)| Show InChI InChI=1S/C23H31F2N3O5/c1-12(26-13(2)29)11-31-15-4-6-16(7-5-15)33-23-27-21-18(24)10-19(20(25)22(21)28(23)3)32-17-8-14(30)9-17/h10,12,14-17,30H,4-9,11H2,1-3H3,(H,26,29)/t12-,14-,15-,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	78	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369698 (US10233156, Example I-238) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(F)cc2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(5.81,-2.65,;5.81,-1.11,;4.48,-.34,;3.14,-1.11,;1.81,-.34,;1.81,1.2,;.48,1.97,;-.86,1.2,;-.86,-.34,;.48,-1.11,;-2.19,1.97,;-3.52,1.2,;-3.69,-.33,;-5.19,-.65,;-5.96,-1.98,;-7.5,-1.98,;-8.27,-3.32,;-8.27,-.65,;-9.81,-.65,;-7.5,.68,;-5.96,.68,;-4.93,1.83,;-5.33,3.32,;7.14,-.34,;8.48,-1.11,;9.81,-.34,;8.48,-2.65,)| Show InChI InChI=1S/C19H25F2N3O3/c1-11(22-12(2)25)10-26-13-4-6-14(7-5-13)27-19-23-17-8-15(20)16(21)9-18(17)24(19)3/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,22,25)/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	83	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369683 (US10233156, Example I-223) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(O[C@H]3C[C@H](O)C3)c(F)c2n1C)NC(C)=O |r,wU:19.19,7.10,1.0,wD:4.3,21.22,(7.13,-1.7,;7.13,-.16,;5.79,.61,;4.46,-.16,;3.12,.61,;3.12,2.15,;1.79,2.92,;.46,2.15,;.46,.61,;1.79,-.16,;-.88,2.92,;-2.21,2.15,;-2.37,.61,;-3.88,.29,;-4.65,-1.04,;-3.88,-2.37,;-6.19,-1.04,;-6.96,.29,;-8.5,.29,;-9.27,-1.04,;-8.87,-2.53,;-10.36,-2.93,;-11.13,-4.26,;-10.76,-1.44,;-6.19,1.63,;-6.96,2.96,;-4.65,1.63,;-3.62,2.77,;-4.02,4.26,;8.46,.61,;9.79,-.16,;11.13,.61,;9.79,-1.7,)| Show InChI InChI=1S/C23H31F2N3O5/c1-12(26-13(2)29)11-31-15-4-6-16(7-5-15)33-23-27-21-18(24)10-19(20(25)22(21)28(23)3)32-17-8-14(30)9-17/h10,12,14-17,30H,4-9,11H2,1-3H3,(H,26,29)/t12-,14-,15-,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	87	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369690 (US10233156, Example I-230) Show SMILES C[C@@H](CC(F)(F)[C@@H]1CC[C@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C)NC(C)=O |r| Show InChI InChI=1S/C21H25F6N3O4/c1-10(28-11(2)31)7-21(26,27)15-5-4-12(8-33-15)34-20-29-18-13(22)6-14(32-9-16(23)24)17(25)19(18)30(20)3/h6,10,12,15-16H,4-5,7-9H2,1-3H3,(H,28,31)/t10-,12+,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	89	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369711 (US10233156, Example I-251) Show SMILES C[C@@H](CO[C@@H]1CC[C@H](Cc2nc3c(F)cc(OCC(F)F)c(F)c3n2C)CC1)NC(C)=O |r,wU:7.7,4.3,1.0,(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,;-.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,;.68,-.34,;2.02,-1.11,;8.68,-.34,;10.02,-1.11,;11.35,-.34,;10.02,-2.65,)| Show InChI InChI=1S/C22H29F4N3O3/c1-12(27-13(2)30)10-31-15-6-4-14(5-7-15)8-19-28-21-16(23)9-17(32-11-18(24)25)20(26)22(21)29(19)3/h9,12,14-15,18H,4-8,10-11H2,1-3H3,(H,27,30)/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369664 (US10233156, Example I-203) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3(C)COC3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.25,-2.65,;7.25,-1.11,;5.91,-.34,;4.58,-1.11,;3.25,-.34,;3.25,1.2,;1.91,1.97,;.58,1.2,;.58,-.34,;1.91,-1.11,;-.75,1.97,;-2.09,1.2,;-2.25,-.33,;-3.76,-.65,;-4.53,-1.98,;-3.76,-3.32,;-6.07,-1.98,;-6.84,-.65,;-8.38,-.65,;-9.15,-1.98,;-7.81,-2.75,;-10.48,-1.21,;-11.25,-2.55,;-9.92,-3.32,;-6.07,.68,;-6.84,2.02,;-4.53,.68,;-3.49,1.83,;-3.89,3.32,;8.58,-.34,;9.92,-1.11,;11.25,-.34,;9.92,-2.65,)| Show InChI InChI=1S/C23H31F2N3O5/c1-13(26-14(2)29)10-31-15-5-7-16(8-6-15)32-22-27-20-17(24)9-18(19(25)21(20)28(22)4)33-23(3)11-30-12-23/h9,13,15-16H,5-8,10-12H2,1-4H3,(H,26,29)/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369678 (US10233156, Example I-218) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(OC3CC3)cc2n1C)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,;-6.45,-1.88,;-7.22,-3.21,;-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/C21H29FN4O4/c1-12(24-20(23)27)11-28-13-3-5-15(6-4-13)30-21-25-17-9-16(22)19(29-14-7-8-14)10-18(17)26(21)2/h9-10,12-15H,3-8,11H2,1-2H3,(H3,23,24,27)/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair

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