Compile Data Set for Download or QSAR

Found 1320 hits with Last Name = 'kobayashi' and Initial = 'n'   

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
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038898 ((S)-1-((S)-1-(2-(2,3-dihydro-1H-inden-2-yl)acetyl)...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1 Show InChI InChI=1S/C21H26N2O3/c24-14-18-7-3-9-22(18)21(26)19-8-4-10-23(19)20(25)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,14-15,18-19H,3-4,7-13H2/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038897 ((S)-1-[(S)-1-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1 Show InChI InChI=1S/C22H28N2O3/c25-15-19-7-3-11-23(19)22(27)20-8-4-12-24(20)21(26)14-16-9-10-17-5-1-2-6-18(17)13-16/h1-2,5-6,15-16,19-20H,3-4,7-14H2/t16-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038899 ((S)-1-[(R)-3-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1 Show InChI InChI=1S/C21H26N2O3S/c24-12-18-6-3-9-22(18)21(26)19-13-27-14-23(19)20(25)11-15-7-8-16-4-1-2-5-17(16)10-15/h1-2,4-5,12,15,18-19H,3,6-11,13-14H2/t15-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038891 ((S)-1-[(S)-1-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C22H27N3O2/c23-15-19-7-3-11-24(19)22(27)20-8-4-12-25(20)21(26)14-16-9-10-17-5-1-2-6-18(17)13-16/h1-2,5-6,16,19-20H,3-4,7-14H2/t16-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038893 ((S)-1-[(R)-3-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H25N3O2S/c22-12-18-6-3-9-23(18)21(26)19-13-27-14-24(19)20(25)11-15-7-8-16-4-1-2-5-17(16)10-15/h1-2,4-5,15,18-19H,3,6-11,13-14H2/t15-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038868 ((R)-3-[(R)-3-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1 Show InChI InChI=1S/C20H24N2O3S2/c23-9-17-10-26-12-21(17)20(25)18-11-27-13-22(18)19(24)8-14-5-6-15-3-1-2-4-16(15)7-14/h1-4,9,14,17-18H,5-8,10-13H2/t14-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038876 ((S)-1-[(R)-3-(2-Indan-2-yl-acetyl)-thiazolidine-4-...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1 Show InChI InChI=1S/C20H24N2O3S/c23-11-17-6-3-7-21(17)20(25)18-12-26-13-22(18)19(24)10-14-8-15-4-1-2-5-16(15)9-14/h1-2,4-5,11,14,17-18H,3,6-10,12-13H2/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038879 ((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038885 ((S)-1-[(R)-3-(2-Indan-2-yl-acetyl)-thiazolidine-4-...) Show SMILES O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H23N3O2S/c21-11-17-6-3-7-22(17)20(25)18-12-26-13-23(18)19(24)10-14-8-15-4-1-2-5-16(15)9-14/h1-2,4-5,14,17-18H,3,6-10,12-13H2/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038889 ((S)-1-((S)-1-(2-(2,3-dihydro-1H-inden-2-yl)acetyl)...) Show SMILES O=C(CC1Cc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H25N3O2/c22-14-18-7-3-9-23(18)21(26)19-8-4-10-24(19)20(25)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,15,18-19H,3-4,7-13H2/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM505120 (US11066409, Compound I-0003) Show SMILES Cc1c(Cl)cccc1Nc1nc(=O)cc2COCC(c3ccccc3)n12 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...				Citation and Details BindingDB Entry DOI: 10.7270/Q21G0QDT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50462049 (CHEMBL4225405) Show SMILES CCOc1nc2ccc(Oc3ccc(\C=C\[C@H](C)NC(C)=O)cn3)c(Cl)c2s1 |r| Show InChI InChI=1S/C20H20ClN3O3S/c1-4-26-20-24-15-8-9-16(18(21)19(15)28-20)27-17-10-7-14(11-22-17)6-5-12(2)23-13(3)25/h5-12H,4H2,1-3H3,(H,23,25)/b6-5+/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC2 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD...				Bioorg Med Chem Lett 28: 2498-2503 (2018) Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW
					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
Thromboxane-A synthase (Rattus norvegicus)	BDBM50037039 (2-Amino-5,7-dimethyl-4-pyridin-3-ylmethyl-benzothi...) Show SMILES Cc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1 Show InChI InChI=1S/C15H15N3OS/c1-8-11(6-10-4-3-5-17-7-10)12-14(9(2)13(8)19)20-15(16)18-12/h3-5,7,19H,6H2,1-2H3,(H2,16,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat				J Med Chem 37: 3062-70 (1994) BindingDB Entry DOI: 10.7270/Q2WM1F2J
					More data for this Ligand-Target Pair
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))	BDBM50462060 (CHEMBL4229067) Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC2 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD...				Bioorg Med Chem Lett 28: 2498-2503 (2018) Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038864 (2-(S)-1,2,3,4-Tetrahydro-naphthalen-2-yl-1-[(R)-4-...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1 Show InChI InChI=1S/C19H24N2O2S2/c22-18(10-14-5-6-15-3-1-2-4-16(15)9-14)21-13-25-11-17(21)19(23)20-7-8-24-12-20/h1-4,14,17H,5-13H2/t14-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					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))	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))	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))	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
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038887 (2-(S)-1,2,3,4-Tetrahydro-naphthalen-2-yl-1-[(R)-2-...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1 Show InChI InChI=1S/C20H26N2O2S/c23-19(13-15-7-8-16-4-1-2-5-17(16)12-15)22-9-3-6-18(22)20(24)21-10-11-25-14-21/h1-2,4-5,15,18H,3,6-14H2/t15-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					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
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038895 (1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C20H26N2O2S/c23-19(12-15-7-8-16-5-1-2-6-17(16)11-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t15-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					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))	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))	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))	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))	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))	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))	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))	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))	BDBM50462062 (CHEMBL4225659) Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2Cl)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22ClN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC2 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD...				Bioorg Med Chem Lett 28: 2498-2503 (2018) Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW
					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))	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

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