Compile Data Set for Download or QSAR

Found 767 hits with Last Name = 'fumoto' and Initial = 'm'   

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
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566781 (CHEMBL4867273) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566781 (CHEMBL4867273) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566783 (CHEMBL4859806) Show SMILES CN(C)CCCC[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSCCNC(=O)[C@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CC(F)(F)CN2C1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566776 (CHEMBL4847740) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566783 (CHEMBL4859806) Show SMILES CN(C)CCCC[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSCCNC(=O)[C@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CC(F)(F)CN2C1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566782 (CHEMBL4857394) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2cccc(c2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566782 (CHEMBL4857394) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2cccc(c2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566772 (CHEMBL4878738) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566776 (CHEMBL4847740) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566772 (CHEMBL4878738) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566784 (CHEMBL4872872) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)N2CCCC[C@H]2C(=O)N2CC(F)(F)C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C(=O)NCCSCC1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566784 (CHEMBL4872872) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)N2CCCC[C@H]2C(=O)N2CC(F)(F)C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C(=O)NCCSCC1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					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))	BDBM307424 (US10150728, Example I-655) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(Cl)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| Show InChI InChI=1S/C22H29ClFN3O4/c1-12(25-13(2)28)11-29-14-4-6-16(7-5-14)31-22-26-20-17(24)10-18(30-15-8-9-15)19(23)21(20)27(22)3/h10,12,14-16H,4-9,11H2,1-3H3,(H,25,28)/t12-,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	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))	BDBM306944 (US10150728, Example I-157) Show SMILES CCOc1nc2ccc(OC[C@H]3C[C@@H](C3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:11.10,17.18,wD:13.15,(-7.87,3.39,;-9.36,2.99,;-9.76,1.5,;-8.67,.42,;-8.67,-1.12,;-7.2,-1.6,;-6.58,-3.01,;-5.05,-3.17,;-4.14,-1.92,;-2.65,-2.32,;-1.56,-1.23,;-.08,-1.63,;1.26,-.86,;2.03,-2.19,;.69,-2.96,;3.51,-2.59,;4.6,-1.5,;6.09,-1.9,;6.49,-3.39,;7.18,-.81,;8.67,-1.21,;9.76,-.12,;9.07,-2.7,;-4.77,-.52,;-6.3,-.35,;-7.2,.89,)| Show InChI InChI=1S/C18H25N3O4S/c1-4-23-18-20-15-5-6-16(21-17(15)26-18)25-10-13-7-14(8-13)24-9-11(2)19-12(3)22/h5-6,11,13-14H,4,7-10H2,1-3H3,(H,19,22)/t11-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	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))	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))	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))	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))	BDBM307223 (US10150728, Example I-436) Show SMILES C[C@@H](CO[C@@H]1C[C@H](COc2ncnc(OCc3ccccn3)c2Cl)C1)NC(C)=O |r,wU:6.6,4.3,wD:1.0,(7.61,3.24,;7.61,1.7,;6.28,.93,;4.94,1.7,;3.61,.93,;2.12,1.33,;1.72,-.16,;.39,-.93,;-.94,-.16,;-2.28,-.93,;-2.28,-2.47,;-3.61,-3.24,;-4.94,-2.47,;-4.94,-.93,;-6.28,-.16,;-7.61,-.93,;-8.95,-.16,;-8.95,1.38,;-10.28,2.15,;-11.61,1.38,;-11.61,-.16,;-10.28,-.93,;-3.61,-.16,;-3.61,1.38,;3.21,-.56,;8.95,.93,;10.28,1.7,;11.61,.93,;10.28,3.24,)| Show InChI InChI=1S/C20H25ClN4O4/c1-13(25-14(2)26)9-27-17-7-15(8-17)10-28-19-18(21)20(24-12-23-19)29-11-16-5-3-4-6-22-16/h3-6,12-13,15,17H,7-11H2,1-2H3,(H,25,26)/t13-,15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307226 (US10150728, Example I-439) Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3ncc(Cl)s3)c2Cl)C1)NC(C)=O |r,wU:4.3,wD:6.6,1.0,(7.46,3.24,;7.46,1.7,;6.13,.93,;4.8,1.7,;3.46,.93,;3.06,-.56,;1.58,-.16,;.24,-.93,;-1.09,-.16,;-2.43,-.93,;-2.43,-2.47,;-3.76,-3.24,;-5.09,-2.47,;-5.09,-.93,;-6.43,-.16,;-7.76,-.93,;-9.09,-.16,;-10.56,-.64,;-11.46,.61,;-10.56,1.86,;-11.33,3.19,;-9.09,1.38,;-3.76,-.16,;-3.76,1.38,;1.97,1.33,;8.8,.93,;10.13,1.7,;11.46,.93,;10.13,3.24,)| Show InChI InChI=1S/C18H22Cl2N4O4S/c1-10(24-11(2)25)6-26-13-3-12(4-13)7-27-17-16(20)18(23-9-22-17)28-8-15-21-5-14(19)29-15/h5,9-10,12-13H,3-4,6-8H2,1-2H3,(H,24,25)/t10-,12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM306906 (US10150728, Example I-119) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1ccc2nc(OCC3CC3)sc2c1F)NC(C)=O |r,wU:4.3,1.0,wD:7.10,(9.38,-1.33,;8.61,,;7.07,,;6.3,-1.33,;4.76,-1.33,;3.99,-2.67,;2.45,-2.67,;1.68,-1.33,;2.45,,;3.99,,;.14,-1.33,;-1.4,-1.33,;-2.17,-2.67,;-3.71,-2.67,;-4.48,-1.33,;-5.99,-1.01,;-6.15,.52,;-7.48,1.29,;-8.82,.52,;-10.15,1.29,;-10.92,2.62,;-11.69,1.29,;-4.74,1.14,;-3.71,,;-2.17,,;-1.4,1.33,;9.38,1.33,;10.92,1.33,;11.69,2.67,;11.69,,)| Show InChI InChI=1S/C22H29FN2O4S/c1-13(24-14(2)26)11-27-16-5-7-17(8-6-16)29-19-10-9-18-21(20(19)23)30-22(25-18)28-12-15-3-4-15/h9-10,13,15-17H,3-8,11-12H2,1-2H3,(H,24,26)/t13-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307006 (US10150728, Example I-219) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1cc2sc(OC3CC(F)(F)C3)nc2cn1)NC(C)=O |r,wU:4.3,1.0,wD:7.10,(8.89,.64,;8.12,1.98,;6.58,1.98,;5.81,.64,;4.27,.64,;3.5,-.69,;1.96,-.69,;1.19,.64,;1.96,1.98,;3.5,1.98,;-.35,.64,;-1.12,-.69,;-2.66,-.69,;-3.43,-2.02,;-4.94,-2.34,;-5.1,-3.88,;-6.44,-4.65,;-7.77,-3.88,;-8.17,-2.39,;-9.66,-2.79,;-10.43,-1.45,;-11.2,-2.79,;-9.26,-4.27,;-3.7,-4.5,;-2.66,-3.36,;-1.12,-3.36,;-.35,-2.02,;8.89,3.31,;10.43,3.31,;11.2,4.65,;11.2,1.98,)| Show InChI InChI=1S/C21H27F2N3O4S/c1-12(25-13(2)27)11-28-14-3-5-15(6-4-14)29-19-7-18-17(10-24-19)26-20(31-18)30-16-8-21(22,23)9-16/h7,10,12,14-16H,3-6,8-9,11H2,1-2H3,(H,25,27)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM307433 (US10150728, Example I-665) Show SMILES CCOc1cc(F)c2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1F |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-3.32,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| Show InChI InChI=1S/C21H29F2N3O4/c1-5-28-17-10-16(22)19-20(18(17)23)26(4)21(25-19)30-15-8-6-14(7-9-15)29-11-12(2)24-13(3)27/h10,12,14-15H,5-9,11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	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))	BDBM307430 (US10150728, Example I-662) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OCC3CC3)c(Cl)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.63,-2.93,;7.63,-1.39,;6.3,-.62,;4.97,-1.39,;3.63,-.62,;3.63,.92,;2.3,1.69,;.96,.92,;.96,-.62,;2.3,-1.39,;-.37,1.69,;-1.7,.92,;-1.86,-.61,;-3.37,-.93,;-4.14,-2.26,;-5.68,-2.26,;-6.45,-.93,;-7.99,-.93,;-8.76,-2.26,;-10.3,-2.26,;-11.63,-1.49,;-11.63,-3.03,;-5.68,.4,;-6.45,1.74,;-4.14,.4,;-3.11,1.55,;-3.51,3.03,;8.97,-.62,;10.3,-1.39,;11.63,-.62,;10.3,-2.93,)| Show InChI InChI=1S/C22H31ClN4O4/c1-13(25-14(2)28)11-29-16-6-8-17(9-7-16)31-22-26-18-10-24-21(30-12-15-4-5-15)19(23)20(18)27(22)3/h10,13,15-17H,4-9,11-12H2,1-3H3,(H,25,28)/t13-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307448 (US10150728, Example I-682) Show SMILES C[C@@H](CC[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OC3CC3)c(Cl)c2n1C)NC(N)=O |r,wU:4.3,1.0,wD:7.10,(7.39,-3.85,;7.39,-2.31,;6.06,-1.54,;4.73,-2.31,;3.39,-1.54,;2.06,-2.31,;.72,-1.54,;.72,,;2.06,.77,;3.39,,;-.61,.77,;-2.15,.77,;-3.05,-.48,;-4.52,,;-5.85,-.77,;-7.19,,;-7.19,1.54,;-8.52,2.31,;-9.85,1.54,;-11.39,1.54,;-10.62,.21,;-5.85,2.31,;-5.85,3.85,;-4.52,1.54,;-3.05,2.02,;-2.28,3.35,;8.73,-1.54,;10.06,-2.31,;11.39,-1.54,;10.06,-3.85,)| Show InChI InChI=1S/C21H30ClN5O3/c1-12(25-20(23)28)3-4-13-5-7-15(8-6-13)30-21-26-16-11-24-19(29-14-9-10-14)17(22)18(16)27(21)2/h11-15H,3-10H2,1-2H3,(H3,23,25,28)/t12-,13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307452 (US10150728, Example I-686) Show SMILES CCOc1nc(F)c2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1Cl |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-3.32,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| Show InChI InChI=1S/C20H28ClFN4O4/c1-5-28-19-15(21)17-16(18(22)25-19)24-20(26(17)4)30-14-8-6-13(7-9-14)29-10-11(2)23-12(3)27/h11,13-14H,5-10H2,1-4H3,(H,23,27)/t11-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307471 (US10150728, Example I-708) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OCC3CC3(F)F)c(Cl)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(8.3,-2.16,;8.3,-.62,;6.97,.15,;5.63,-.62,;4.3,.15,;4.3,1.69,;2.97,2.46,;1.63,1.69,;1.63,.15,;2.97,-.62,;.3,2.46,;-1.04,1.69,;-1.2,.16,;-2.7,-.16,;-3.47,-1.49,;-5.01,-1.49,;-5.78,-.16,;-7.32,-.16,;-8.09,-1.49,;-9.63,-1.49,;-10.97,-.72,;-10.97,-2.26,;-10.97,-3.8,;-12.3,-3.03,;-5.01,1.17,;-5.78,2.51,;-3.47,1.17,;-2.44,2.32,;-2.84,3.8,;9.63,.15,;10.97,-.62,;12.3,.15,;10.97,-2.16,)| Show InChI InChI=1S/C22H29ClF2N4O4/c1-12(27-13(2)30)10-31-15-4-6-16(7-5-15)33-21-28-17-9-26-20(18(23)19(17)29(21)3)32-11-14-8-22(14,24)25/h9,12,14-16H,4-8,10-11H2,1-3H3,(H,27,30)/t12-,14?,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307397 (US10150728, Example I-625) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cnc(OCC3CC3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.63,-2.93,;7.63,-1.39,;6.3,-.62,;4.97,-1.39,;3.63,-.62,;3.63,.92,;2.3,1.69,;.96,.92,;.96,-.62,;2.3,-1.39,;-.37,1.69,;-1.7,.92,;-1.86,-.61,;-3.37,-.93,;-4.14,-2.26,;-5.68,-2.26,;-6.45,-.93,;-7.99,-.93,;-8.76,-2.26,;-10.3,-2.26,;-11.63,-1.49,;-11.63,-3.03,;-5.68,.4,;-6.45,1.74,;-4.14,.4,;-3.11,1.55,;-3.51,3.03,;8.97,-.62,;10.3,-1.39,;11.63,-.62,;10.3,-2.93,)| Show InChI InChI=1S/C22H31FN4O4/c1-13(25-14(2)28)11-29-16-6-8-17(9-7-16)31-22-26-18-10-24-21(30-12-15-4-5-15)19(23)20(18)27(22)3/h10,13,15-17H,4-9,11-12H2,1-3H3,(H,25,28)/t13-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307399 (US10150728, Example I-627) Show SMILES C[C@@H](CC[C@@H]1CC[C@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C)NC(C)=O |r| Show InChI InChI=1S/C21H27F4N3O4/c1-11(26-12(2)29)4-5-13-6-7-14(9-30-13)32-21-27-19-15(22)8-16(31-10-17(23)24)18(25)20(19)28(21)3/h8,11,13-14,17H,4-7,9-10H2,1-3H3,(H,26,29)/t11-,13+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307504 (US10150728, Example I-748) Show SMILES C[C@@H](CC[C@H]1OC[C@@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(Cl)c2n1C)NC(C)=O |r,wU:4.3,1.0,wD:7.10,(7.35,-2.65,;7.35,-1.11,;6.02,-.34,;4.68,-1.11,;3.35,-.34,;2.02,-1.11,;.68,-.34,;.68,1.2,;2.02,1.97,;3.35,1.2,;-.65,1.97,;-1.98,1.2,;-2.15,-.33,;-3.65,-.65,;-4.42,-1.98,;-3.65,-3.32,;-5.96,-1.98,;-6.73,-.65,;-8.27,-.65,;-9.04,-1.98,;-10.58,-1.98,;-11.35,-.65,;-11.35,-3.32,;-5.96,.68,;-6.73,2.02,;-4.42,.68,;-3.39,1.83,;-3.79,3.32,;8.68,-.34,;10.02,-1.11,;11.35,-.34,;10.02,-2.65,)| Show InChI InChI=1S/C20H25ClF3N3O5/c1-10(25-11(2)28)4-5-16-30-7-12(8-31-16)32-20-26-18-13(22)6-14(29-9-15(23)24)17(21)19(18)27(20)3/h6,10,12,15-16H,4-5,7-9H2,1-3H3,(H,25,28)/t10-,12-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM306960 (US10150728, Example I-173) Show SMILES CC(C)Oc1nc2ccc(OC[C@H]3C[C@@H](C3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:12.11,18.19,wD:14.16,(-8.29,7.66,;-7.89,6.17,;-8.98,5.08,;-6.4,5.77,;-6,4.28,;-6.97,3.09,;-6.13,1.8,;-6.53,.31,;-5.44,-.78,;-3.96,-.38,;-2.87,-1.47,;-1.38,-1.07,;-.29,-2.16,;1.25,-2.16,;1.25,-3.7,;-.29,-3.7,;2.34,-4.79,;3.83,-4.39,;4.91,-5.48,;4.52,-6.97,;6.4,-5.08,;7.49,-6.17,;8.98,-5.77,;7.09,-7.66,;-3.56,1.11,;-4.65,2.19,;-4.57,3.73,)| Show InChI InChI=1S/C19H27N3O4S/c1-11(2)26-19-21-16-5-6-17(22-18(16)27-19)25-10-14-7-15(8-14)24-9-12(3)20-13(4)23/h5-6,11-12,14-15H,7-10H2,1-4H3,(H,20,23)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM306973 (US10150728, Example I-186) Show SMILES CCOc1nc2cc(F)c(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)nc2s1 |r,wU:14.17,19.20,wD:11.10,(-8.25,3.8,;-9.59,3.03,;-9.59,1.49,;-8.25,.72,;-8.09,-.81,;-6.58,-1.13,;-5.81,-2.47,;-4.27,-2.47,;-3.5,-3.8,;-3.5,-1.13,;-1.96,-1.13,;-.42,-1.13,;.35,-2.47,;1.89,-2.47,;2.66,-1.13,;1.89,.2,;.35,.2,;4.2,-1.13,;4.97,.2,;6.51,.2,;7.28,-1.13,;7.28,1.54,;8.82,1.54,;9.59,2.87,;9.59,.2,;-4.27,.2,;-5.81,.2,;-6.84,1.35,)| Show InChI InChI=1S/C19H26FN3O4S/c1-4-25-19-22-16-9-15(20)17(23-18(16)28-19)27-14-7-5-13(6-8-14)26-10-11(2)21-12(3)24/h9,11,13-14H,4-8,10H2,1-3H3,(H,21,24)/t11-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM306985 (US10150728, Example I-198) Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ccc3nc(OCC4(C)CC4)sc3n2)C1)NC(C)=O |r,wU:6.6,1.0,wD:4.3,(8.23,-3.8,;7.84,-2.31,;6.35,-1.91,;5.26,-3,;3.77,-2.6,;3,-1.27,;1.67,-2.04,;.18,-1.64,;-.91,-2.73,;-2.4,-2.33,;-3.48,-3.42,;-4.97,-3.02,;-5.37,-1.53,;-6.74,-.83,;-6.5,.69,;-7.59,1.78,;-9.08,1.38,;-10.17,2.47,;-11.5,1.7,;-9.4,3.8,;-10.94,3.8,;-4.98,.93,;-4.28,-.45,;-2.79,-.84,;2.44,-3.37,;8.92,-1.22,;10.41,-1.62,;11.5,-.53,;10.81,-3.11,)| Show InChI InChI=1S/C21H29N3O4S/c1-13(22-14(2)25)10-26-16-8-15(9-16)11-27-18-5-4-17-19(24-18)29-20(23-17)28-12-21(3)6-7-21/h4-5,13,15-16H,6-12H2,1-3H3,(H,22,25)/t13-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair

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