Compile Data Set for Download or QSAR

Found 893 hits with Last Name = 'kurahashi' and Initial = 'k'   

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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403547 (US10335401, No. I-57) Show SMILES CS(=O)(=O)CC(=O)NCC1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(OC(F)F)cn1 |r,t:9| Show InChI InChI=1S/C26H25F8N3O6S/c1-44(40,41)14-21(38)36-13-19-18(20-8-7-17(12-35-20)43-23(27)28)11-24(26(32,33)34,37-22(19)39)15-3-5-16(6-4-15)42-10-2-9-25(29,30)31/h3-8,12,23H,2,9-11,13-14H2,1H3,(H,36,38)(H,37,39)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403538 (US10335401, No. I-47) Show SMILES CC(C)(O)c1ccc(nc1)C1=C(CNC(=O)CS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:11| Show InChI InChI=1S/C28H31F6N3O6S/c1-25(2,40)18-7-10-22(35-14-18)20-13-26(28(32,33)34,37-24(39)21(20)15-36-23(38)16-44(3,41)42)17-5-8-19(9-6-17)43-12-4-11-27(29,30)31/h5-10,14,40H,4,11-13,15-16H2,1-3H3,(H,36,38)(H,37,39)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403534 (US10335401, No. I-43) Show SMILES CC(C)c1ccc(nc1)C1=C(CNC(=O)CS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:10| Show InChI InChI=1S/C28H31F6N3O5S/c1-17(2)18-5-10-23(35-14-18)21-13-26(28(32,33)34,37-25(39)22(21)15-36-24(38)16-43(3,40)41)19-6-8-20(9-7-19)42-12-4-11-27(29,30)31/h5-10,14,17H,4,11-13,15-16H2,1-3H3,(H,36,38)(H,37,39)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403562 (US10335401, No. I-72) Show SMILES CC(=C)c1ccc(nc1)C1=C(CNC(=O)CS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:10| Show InChI InChI=1S/C28H29F6N3O5S/c1-17(2)18-5-10-23(35-14-18)21-13-26(28(32,33)34,37-25(39)22(21)15-36-24(38)16-43(3,40)41)19-6-8-20(9-7-19)42-12-4-11-27(29,30)31/h5-10,14H,1,4,11-13,15-16H2,2-3H3,(H,36,38)(H,37,39)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403549 (US10335401, No. I-59) Show SMILES CS(=O)(=O)CC(=O)NCC1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(cn1)C(F)F |r,t:9| Show InChI InChI=1S/C26H25F8N3O5S/c1-43(40,41)14-21(38)36-13-19-18(20-8-3-15(12-35-20)22(27)28)11-24(26(32,33)34,37-23(19)39)16-4-6-17(7-5-16)42-10-2-9-25(29,30)31/h3-8,12,22H,2,9-11,13-14H2,1H3,(H,36,38)(H,37,39)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403570 (US10335401, No. I-86) Show SMILES CS(=O)(=O)CC(=O)NCC1=C(C[C@](NC1=O)(c1ccc(CCC(F)(F)F)cc1)C(F)(F)F)c1ccc(cn1)C(F)F |r,t:9| Show InChI InChI=1S/C25H23F8N3O4S/c1-41(39,40)13-20(37)35-12-18-17(19-7-4-15(11-34-19)21(26)27)10-23(25(31,32)33,36-22(18)38)16-5-2-14(3-6-16)8-9-24(28,29)30/h2-7,11,21H,8-10,12-13H2,1H3,(H,35,37)(H,36,38)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					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))	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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403519 (US10335401, No. I-27) Show SMILES Cc1ccc(nc1)C1=C(CNC(=O)c2ccno2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| Show InChI InChI=1S/C27H24F6N4O4/c1-16-3-8-21(34-14-16)19-13-25(27(31,32)33,17-4-6-18(7-5-17)40-12-2-10-26(28,29)30)37-23(38)20(19)15-35-24(39)22-9-11-36-41-22/h3-9,11,14H,2,10,12-13,15H2,1H3,(H,35,39)(H,37,38)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403518 (US10335401, No. I-26) Show SMILES Cc1ccc(nc1)C1=C(CNC(=O)CC(F)(F)F)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| Show InChI InChI=1S/C26H24F9N3O3/c1-15-3-8-20(36-13-15)18-11-23(26(33,34)35,38-22(40)19(18)14-37-21(39)12-25(30,31)32)16-4-6-17(7-5-16)41-10-2-9-24(27,28)29/h3-8,13H,2,9-12,14H2,1H3,(H,37,39)(H,38,40)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403506 (US10335401, No. I-12) Show SMILES COc1ccc(nc1)C1=C(CNC(=O)CS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9| Show InChI InChI=1S/C26H27F6N3O6S/c1-40-18-8-9-21(33-13-18)19-12-24(26(30,31)32,35-23(37)20(19)14-34-22(36)15-42(2,38)39)16-4-6-17(7-5-16)41-11-3-10-25(27,28)29/h4-9,13H,3,10-12,14-15H2,1-2H3,(H,34,36)(H,35,37)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					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))	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))	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))	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))	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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403542 (US10335401, No. I-52) Show SMILES CC(C)(O)c1ccc(nc1)C1=C(CNC(=O)C(C)(C)C#N)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:11| Show InChI InChI=1S/C30H32F6N4O4/c1-26(2,17-37)25(42)39-16-22-21(23-11-8-19(15-38-23)27(3,4)43)14-28(30(34,35)36,40-24(22)41)18-6-9-20(10-7-18)44-13-5-12-29(31,32)33/h6-11,15,43H,5,12-14,16H2,1-4H3,(H,39,42)(H,40,41)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403539 (US10335401, No. I-48) Show SMILES CC(C)(O)c1ccc(nc1)C1=C(CNC(=O)C2CS(=O)(=O)C2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:11| Show InChI InChI=1S/C29H31F6N3O6S/c1-26(2,41)19-6-9-23(36-13-19)21-12-27(29(33,34)35,18-4-7-20(8-5-18)44-11-3-10-28(30,31)32)38-25(40)22(21)14-37-24(39)17-15-45(42,43)16-17/h4-9,13,17,41H,3,10-12,14-16H2,1-2H3,(H,37,39)(H,38,40)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403507 (US10335401, No. I-13) Show SMILES COc1ccc(nc1)C1=C(CNC(=O)CC(F)(F)F)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9| Show InChI InChI=1S/C26H24F9N3O4/c1-41-17-7-8-20(36-13-17)18-11-23(26(33,34)35,38-22(40)19(18)14-37-21(39)12-25(30,31)32)15-3-5-16(6-4-15)42-10-2-9-24(27,28)29/h3-8,13H,2,9-12,14H2,1H3,(H,37,39)(H,38,40)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403588 (US10335401, No. I-112) Show SMILES FC(F)c1ccc(nc1)C1=C(CNC(=O)CC(F)(F)F)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:10| Show InChI InChI=1S/C26H22F11N3O3/c27-21(28)14-2-7-19(38-12-14)17-10-23(26(35,36)37,40-22(42)18(17)13-39-20(41)11-25(32,33)34)15-3-5-16(6-4-15)43-9-1-8-24(29,30)31/h2-7,12,21H,1,8-11,13H2,(H,39,41)(H,40,42)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369707 (US10233156, Example I-247) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2ccc(OC3CC3)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| Show InChI InChI=1S/C22H30FN3O4/c1-13(24-14(2)27)12-28-15-4-6-17(7-5-15)30-22-25-18-10-11-19(29-16-8-9-16)20(23)21(18)26(22)3/h10-11,13,15-17H,4-9,12H2,1-3H3,(H,24,27)/t13-,15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	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))	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))	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))	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))	BDBM307421 (US10150728, Example I-651) Show SMILES CCOc1cc(Cl)c2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1F |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-3.32,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| Show InChI InChI=1S/C21H29ClFN3O4/c1-5-28-17-10-16(22)19-20(18(17)23)26(4)21(25-19)30-15-8-6-14(7-9-15)29-11-12(2)24-13(3)27/h10,12,14-15H,5-9,11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307427 (US10150728, Example I-658) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2cc(F)c(OCC(F)F)c(F)c2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(7.35,-2.65,;7.35,-1.11,;6.02,-.34,;4.68,-1.11,;3.35,-.34,;3.35,1.2,;2.02,1.97,;.68,1.2,;.68,-.34,;2.02,-1.11,;-.65,1.97,;-1.98,1.2,;-2.15,-.33,;-3.65,-.65,;-4.42,-1.98,;-5.96,-1.98,;-6.73,-3.32,;-6.73,-.65,;-8.27,-.65,;-9.04,-1.98,;-10.58,-1.98,;-11.35,-3.32,;-11.35,-.65,;-5.96,.68,;-6.73,2.02,;-4.42,.68,;-3.39,1.83,;-3.79,3.32,;8.68,-.34,;10.02,-1.11,;11.35,-.34,;10.02,-2.65,)| Show InChI InChI=1S/C21H27F4N3O4/c1-11(26-12(2)29)9-30-13-4-6-14(7-5-13)32-21-27-16-8-15(22)20(31-10-17(23)24)18(25)19(16)28(21)3/h8,11,13-14,17H,4-7,9-10H2,1-3H3,(H,26,29)/t11-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307433 (US10150728, Example I-665) Show SMILES CCOc1cc(F)c2nc(O[C@H]3CC[C@@H](CC3)OC[C@H](C)NC(C)=O)n(C)c2c1F |r,wU:11.10,19.20,wD:14.17,(-10.97,-1.98,;-9.43,-1.98,;-8.66,-.65,;-7.12,-.65,;-6.35,-1.98,;-4.81,-1.98,;-4.04,-3.32,;-4.04,-.65,;-2.53,-.33,;-2.37,1.2,;-1.04,1.97,;.3,1.2,;1.63,1.97,;2.97,1.2,;2.97,-.34,;1.63,-1.11,;.3,-.34,;4.3,-1.11,;5.63,-.34,;6.97,-1.11,;6.97,-2.65,;8.3,-.34,;9.63,-1.11,;10.97,-.34,;9.63,-2.65,;-3.78,1.83,;-4.18,3.32,;-4.81,.68,;-6.35,.68,;-7.12,2.02,)| Show InChI InChI=1S/C21H29F2N3O4/c1-5-28-17-10-16(22)19-20(18(17)23)26(4)21(25-19)30-15-8-6-14(7-9-15)29-11-12(2)24-13(3)27/h10,12,14-15H,5-9,11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307454 (US10150728, Example I-688) Show SMILES C[C@@H](CC[C@@H]1CC[C@H](CO1)Oc1nc2c(F)cc(OCC(F)F)c(Cl)c2n1C)NC(C)=O |r| Show InChI InChI=1S/C21H27ClF3N3O4/c1-11(26-12(2)29)4-5-13-6-7-14(9-30-13)32-21-27-19-15(23)8-16(31-10-17(24)25)18(22)20(19)28(21)3/h8,11,13-14,17H,4-7,9-10H2,1-3H3,(H,26,29)/t11-,13+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307462 (US10150728, Example I-697) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(F)c2n1C)NC(N)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-7.22,2.12,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| Show InChI InChI=1S/C21H28F2N4O4/c1-11(25-20(24)28)10-29-12-3-5-14(6-4-12)31-21-26-18-15(22)9-16(30-13-7-8-13)17(23)19(18)27(21)2/h9,11-14H,3-8,10H2,1-2H3,(H3,24,25,28)/t11-,12-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307487 (US10150728, Example I-729) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)c(F)c2n1C)NC(=O)CC#N |r,wU:7.10,1.0,wD:4.3,(6.2,-2.54,;6.2,-1,;4.86,-.23,;3.53,-1,;2.2,-.23,;2.2,1.31,;.86,2.08,;-.47,1.31,;-.47,-.23,;.86,-1,;-1.81,2.08,;-3.14,1.31,;-3.3,-.23,;-4.81,-.55,;-5.58,-1.88,;-4.81,-3.21,;-7.12,-1.88,;-7.89,-.55,;-9.43,-.55,;-10.2,-1.88,;-11.53,-2.65,;-10.2,-3.42,;-7.12,.79,;-7.89,2.12,;-5.58,.79,;-4.55,1.93,;-4.95,3.42,;7.53,-.23,;8.86,-1,;8.86,-2.54,;10.2,-.23,;11.53,-1,;11.53,-2.54,)| Show InChI InChI=1S/C23H28F2N4O4/c1-13(27-19(30)9-10-26)12-31-14-3-5-16(6-4-14)33-23-28-21-17(24)11-18(32-15-7-8-15)20(25)22(21)29(23)2/h11,13-16H,3-9,12H2,1-2H3,(H,27,30)/t13-,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307491 (US10150728, Example I-734) Show SMILES C[C@@H](CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)cc2n1C)NC(C)=O |r,wU:7.10,1.0,wD:4.3,(6.86,-2.54,;6.86,-1,;5.53,-.23,;4.2,-1,;2.86,-.23,;2.86,1.31,;1.53,2.08,;.19,1.31,;.19,-.23,;1.53,-1,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,;8.2,-.23,;9.53,-1,;10.86,-.23,;9.53,-2.54,)| Show InChI InChI=1S/C22H30FN3O4/c1-13(24-14(2)27)12-28-15-4-6-17(7-5-15)30-22-25-21-19(23)10-18(29-16-8-9-16)11-20(21)26(22)3/h10-11,13,15-17H,4-9,12H2,1-3H3,(H,24,27)/t13-,15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	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))	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))	BDBM307172 (US10150728, Example I-385) Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3cc(Cl)ccn3)c2Cl)C1)NC(C)=O |r,wU:4.3,wD:6.6,1.0,(7.61,3.01,;7.61,1.47,;6.28,.7,;4.94,1.47,;3.61,.7,;3.21,-.78,;1.72,-.38,;.39,-1.15,;-.94,-.38,;-2.28,-1.15,;-2.28,-2.69,;-3.61,-3.47,;-4.94,-2.69,;-4.94,-1.15,;-6.28,-.38,;-7.61,-1.15,;-8.95,-.38,;-8.95,1.15,;-10.28,1.93,;-10.28,3.47,;-11.61,1.15,;-11.61,-.38,;-10.28,-1.15,;-3.61,-.38,;-3.61,1.15,;2.12,1.1,;8.95,.7,;10.28,1.47,;11.61,.7,;10.28,3.01,)| Show InChI InChI=1S/C20H24Cl2N4O4/c1-12(26-13(2)27)8-28-17-5-14(6-17)9-29-19-18(22)20(25-11-24-19)30-10-16-7-15(21)3-4-23-16/h3-4,7,11-12,14,17H,5-6,8-10H2,1-2H3,(H,26,27)/t12-,14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307223 (US10150728, Example I-436) Show SMILES C[C@@H](CO[C@@H]1C[C@H](COc2ncnc(OCc3ccccn3)c2Cl)C1)NC(C)=O |r,wU:6.6,4.3,wD:1.0,(7.61,3.24,;7.61,1.7,;6.28,.93,;4.94,1.7,;3.61,.93,;2.12,1.33,;1.72,-.16,;.39,-.93,;-.94,-.16,;-2.28,-.93,;-2.28,-2.47,;-3.61,-3.24,;-4.94,-2.47,;-4.94,-.93,;-6.28,-.16,;-7.61,-.93,;-8.95,-.16,;-8.95,1.38,;-10.28,2.15,;-11.61,1.38,;-11.61,-.16,;-10.28,-.93,;-3.61,-.16,;-3.61,1.38,;3.21,-.56,;8.95,.93,;10.28,1.7,;11.61,.93,;10.28,3.24,)| Show InChI InChI=1S/C20H25ClN4O4/c1-13(25-14(2)26)9-27-17-7-15(8-17)10-28-19-18(21)20(24-12-23-19)29-11-16-5-3-4-6-22-16/h3-6,12-13,15,17H,7-11H2,1-2H3,(H,25,26)/t13-,15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307226 (US10150728, Example I-439) Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3ncc(Cl)s3)c2Cl)C1)NC(C)=O |r,wU:4.3,wD:6.6,1.0,(7.46,3.24,;7.46,1.7,;6.13,.93,;4.8,1.7,;3.46,.93,;3.06,-.56,;1.58,-.16,;.24,-.93,;-1.09,-.16,;-2.43,-.93,;-2.43,-2.47,;-3.76,-3.24,;-5.09,-2.47,;-5.09,-.93,;-6.43,-.16,;-7.76,-.93,;-9.09,-.16,;-10.56,-.64,;-11.46,.61,;-10.56,1.86,;-11.33,3.19,;-9.09,1.38,;-3.76,-.16,;-3.76,1.38,;1.97,1.33,;8.8,.93,;10.13,1.7,;11.46,.93,;10.13,3.24,)| Show InChI InChI=1S/C18H22Cl2N4O4S/c1-10(24-11(2)25)6-26-13-3-12(4-13)7-27-17-16(20)18(23-9-22-17)28-8-15-21-5-14(19)29-15/h5,9-10,12-13H,3-4,6-8H2,1-2H3,(H,24,25)/t10-,12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM307247 (US10150728, Example I-460) Show SMILES C[C@@H](CO[C@H]1C[C@H](COc2ncnc(OCc3cc(Cl)ccn3)c2F)C1)NC(C)=O |r,wU:4.3,wD:6.6,1.0,(7.61,3.01,;7.61,1.47,;6.28,.7,;4.94,1.47,;3.61,.7,;3.21,-.78,;1.72,-.38,;.39,-1.15,;-.94,-.38,;-2.28,-1.15,;-2.28,-2.69,;-3.61,-3.47,;-4.94,-2.69,;-4.94,-1.15,;-6.28,-.38,;-7.61,-1.15,;-8.95,-.38,;-8.95,1.15,;-10.28,1.93,;-10.28,3.47,;-11.61,1.15,;-11.61,-.38,;-10.28,-1.15,;-3.61,-.38,;-3.61,1.15,;2.12,1.1,;8.95,.7,;10.28,1.47,;11.61,.7,;10.28,3.01,)| Show InChI InChI=1S/C20H24ClFN4O4/c1-12(26-13(2)27)8-28-17-5-14(6-17)9-29-19-18(22)20(25-11-24-19)30-10-16-7-15(21)3-4-23-16/h3-4,7,11-12,14,17H,5-6,8-10H2,1-2H3,(H,26,27)/t12-,14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				US Patent US10150728 (2018) BindingDB Entry DOI: 10.7270/Q2WD42M7
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403589 (US10335401, No. I-114) Show SMILES CS(=O)(=O)CC(=O)NCC1=C(C[C@](NC1=O)(c1ccc(OCC(F)(F)F)cc1)C(F)(F)F)c1ccc(OC(F)F)cn1 |r,t:9| Show InChI InChI=1S/C24H21F8N3O6S/c1-42(38,39)11-19(36)34-10-17-16(18-7-6-15(9-33-18)41-21(25)26)8-22(24(30,31)32,35-20(17)37)13-2-4-14(5-3-13)40-12-23(27,28)29/h2-7,9,21H,8,10-12H2,1H3,(H,34,36)(H,35,37)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403536 (US10335401, No. I-45) Show SMILES CC(C)c1ccc(nc1)C1=C(CNC(=O)C(C)(C)C#N)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:10| Show InChI InChI=1S/C30H32F6N4O3/c1-18(2)19-6-11-24(38-15-19)22-14-28(30(34,35)36,40-25(41)23(22)16-39-26(42)27(3,4)17-37)20-7-9-21(10-8-20)43-13-5-12-29(31,32)33/h6-11,15,18H,5,12-14,16H2,1-4H3,(H,39,42)(H,40,41)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM403504 (US10335401, No. I-10) Show SMILES Cc1ccc(nc1)C1=C(CNC(=O)CS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| Show InChI InChI=1S/C26H27F6N3O5S/c1-16-4-9-21(33-13-16)19-12-24(26(30,31)32,35-23(37)20(19)14-34-22(36)15-41(2,38)39)17-5-7-18(8-6-17)40-11-3-10-25(27,28)29/h4-9,13H,3,10-12,14-15H2,1-2H3,(H,34,36)(H,35,37)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<4.60	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant bacul...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2JM2D0H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369665 (US10233156, Example I-205) Show SMILES CC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC(F)F)c(Cl)c2n1C |r,wU:9.8,4.3,wD:12.15,(11.35,-.29,;10.02,-1.06,;10.02,-2.6,;8.68,-.29,;7.35,-1.06,;7.35,-2.6,;6.02,-3.37,;6.02,-.29,;4.68,-1.06,;3.35,-.29,;2.02,-1.06,;.68,-.29,;.68,1.25,;2.02,2.02,;3.35,1.25,;-.65,2.02,;-1.98,1.25,;-2.15,-.28,;-3.65,-.6,;-4.42,-1.93,;-3.65,-3.27,;-5.96,-1.93,;-6.73,-.6,;-8.27,-.6,;-9.04,-1.93,;-10.58,-1.93,;-11.35,-3.27,;-11.35,-.6,;-5.96,.73,;-6.73,2.07,;-4.42,.73,;-3.39,1.88,;-3.79,3.37,)| Show InChI InChI=1S/C21H26ClF4N3O4/c1-11(30)27-12(8-23)9-31-13-3-5-14(6-4-13)33-21-28-19-15(24)7-16(32-10-17(25)26)18(22)20(19)29(21)2/h7,12-14,17H,3-6,8-10H2,1-2H3,(H,27,30)/t12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM369662 (US10233156, Example I-201) Show SMILES CC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OC3CC3)cc2n1C |r,wU:9.8,4.3,wD:12.15,(10.86,-.23,;9.53,-1,;9.53,-2.54,;8.2,-.23,;6.86,-1,;6.86,-2.54,;5.53,-3.31,;5.53,-.23,;4.2,-1,;2.86,-.23,;1.53,-1,;.19,-.23,;.19,1.31,;1.53,2.08,;2.86,1.31,;-1.14,2.08,;-2.47,1.31,;-2.63,-.23,;-4.14,-.55,;-4.91,-1.88,;-4.14,-3.21,;-6.45,-1.88,;-7.22,-.55,;-8.76,-.55,;-9.53,-1.88,;-10.86,-2.65,;-9.53,-3.42,;-6.45,.79,;-4.91,.79,;-3.88,1.93,;-4.28,3.42,)| Show InChI InChI=1S/C22H29F2N3O4/c1-13(28)25-14(11-23)12-29-15-3-5-17(6-4-15)31-22-26-21-19(24)9-18(30-16-7-8-16)10-20(21)27(22)2/h9-10,14-17H,3-8,11-12H2,1-2H3,(H,25,28)/t14-,15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...				J Med Chem 50: 641-62 (2007) BindingDB Entry DOI: 10.7270/Q2C53P4Z
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	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))	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))	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

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