Compile Data Set for Download or QSAR

Found 809 hits Enz. Inhib. hit(s) with Target = 'Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase'   

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))	BDBM253625 (US9701672, 56) Show SMILES FC(F)(F)CCCOc1ccc(c(Cl)c1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C24H20ClF6N5O2S/c25-16-10-13(38-9-1-8-23(26,27)28)4-5-15(16)22(24(29,30)31)11-14(18-7-6-17(39-18)12-2-3-12)19(21(37)32-22)20-33-35-36-34-20/h4-7,10,12H,1-3,8-9,11H2,(H,32,37)(H,33,34,35,36)/t22-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM253635 (US9701672, 66) Show SMILES CCc1cnc(s1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F Show InChI InChI=1/C24H23F7N6O2S/c1-2-14-12-32-21(40-14)15-11-22(24(29,30)31,33-20(38)18(15)19-34-36-37-35-19)16-7-6-13(10-17(16)25)39-9-5-3-4-8-23(26,27)28/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,33,38)(H,34,35,36,37)/t22-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM253632 (US9701672, 63) Show SMILES FC(F)(F)CCCCCOc1ccc(c(Cl)c1)[C@@]1(CC(c2ncc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C25H23ClF6N6O2S/c26-17-10-14(40-9-3-1-2-8-24(27,28)29)6-7-16(17)23(25(30,31)32)11-15(22-33-12-18(41-22)13-4-5-13)19(21(39)34-23)20-35-37-38-36-20/h6-7,10,12-13H,1-5,8-9,11H2,(H,34,39)(H,35,36,37,38)/t23-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM247150 ((S,E)-2-Methyl-N-(2,2,2-trifluoro-1-(4-((5,5,5-tri...) Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C24H20F7N5O2S/c25-16-10-13(38-9-1-8-23(26,27)28)4-5-15(16)22(24(29,30)31)11-14(18-7-6-17(39-18)12-2-3-12)19(21(37)32-22)20-33-35-36-34-20/h4-7,10,12H,1-3,8-9,11H2,(H,32,37)(H,33,34,35,36)/t22-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (MGAT2) (Homo sapiens (Human))	BDBM235244 (US9365558, 67 | US9822074, 67) Show SMILES CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc(cc1)C(F)F Show InChI InChI=1/C27H25F9N2O5S/c1-44(41,42)38-24(40)21-18(15-5-7-16(8-6-15)22(29)30)14-25(27(34,35)36,37-23(21)39)19-10-9-17(13-20(19)28)43-12-4-2-3-11-26(31,32)33/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,37,39)(H,38,40)/t25-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosphat...				US Patent US9822074 (2017) Article DOI: 10.1128/AAC.00448-06
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201537 (US9187424, 304 | US9187424, 309) Show SMILES Fc1cc(ccc1OCCCCCC(F)(F)F)C1(CC(=C(c2nn[nH]n2)C(=O)N1)c1ccc2ccccc2c1)C(F)(F)F Show InChI InChI=1/C29H24F7N5O2/c30-22-15-20(10-11-23(22)43-13-5-1-4-12-28(31,32)33)27(29(34,35)36)16-21(24(26(42)37-27)25-38-40-41-39-25)19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,37,42)(H,38,39,40,41)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (MGAT2) (Homo sapiens (Human))	BDBM235245 (US9365558, 68 | US9822074, 68) Show SMILES CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc(cc1)C1CC1 Show InChI InChI=1/C29H29F7N2O5S/c1-44(41,42)38-26(40)24-21(19-9-7-18(8-10-19)17-5-6-17)16-27(29(34,35)36,37-25(24)39)22-12-11-20(15-23(22)30)43-14-4-2-3-13-28(31,32)33/h7-12,15,17H,2-6,13-14,16H2,1H3,(H,37,39)(H,38,40)/t27-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosphat...				US Patent US9822074 (2017) Article DOI: 10.1128/AAC.00448-06
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201365 (US9187424, 130) Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccno2)C(=O)NC(C1)(c1ccc(OCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C26H21F6N3O4/c1-15-2-4-16(5-3-15)19-14-24(26(30,31)32,17-6-8-18(9-7-17)38-13-11-25(27,28)29)35-23(37)21(19)22(36)34-20-10-12-33-39-20/h2-10,12H,11,13-14H2,1H3,(H,34,36)(H,35,37)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201358 (US9187424, 122) Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(O)cc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C30H26F6N2O4/c1-18-3-5-19(6-4-18)24-17-28(30(34,35)36,20-7-13-23(14-8-20)42-16-2-15-29(31,32)33)38-27(41)25(24)26(40)37-21-9-11-22(39)12-10-21/h3-14,39H,2,15-17H2,1H3,(H,37,40)(H,38,41)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201322 (US9187424, 86) Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(cc2)C(F)(F)F)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C31H25F9N2O3/c1-18-3-5-19(6-4-18)24-17-28(31(38,39)40,20-9-13-23(14-10-20)45-16-2-15-29(32,33)34)42-27(44)25(24)26(43)41-22-11-7-21(8-12-22)30(35,36)37/h3-14H,2,15-17H2,1H3,(H,41,43)(H,42,44)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201319 (US9187424, 83) Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C31H25F9N2O4/c1-18-3-5-19(6-4-18)24-17-28(30(35,36)37,20-7-11-22(12-8-20)45-16-2-15-29(32,33)34)42-27(44)25(24)26(43)41-21-9-13-23(14-10-21)46-31(38,39)40/h3-14H,2,15-17H2,1H3,(H,41,43)(H,42,44)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235245 (US9365558, 68 | US9822074, 68) Show SMILES CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc(cc1)C1CC1 Show InChI InChI=1/C29H29F7N2O5S/c1-44(41,42)38-26(40)24-21(19-9-7-18(8-10-19)17-5-6-17)16-27(29(34,35)36,37-25(24)39)22-12-11-20(15-23(22)30)43-14-4-2-3-13-28(31,32)33/h7-12,15,17H,2-6,13-14,16H2,1H3,(H,37,39)(H,38,40)/t27-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	65
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosph...				US Patent US9365558 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T8B
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235244 (US9365558, 67 | US9822074, 67) Show SMILES CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc(cc1)C(F)F Show InChI InChI=1/C27H25F9N2O5S/c1-44(41,42)38-24(40)21-18(15-5-7-16(8-6-15)22(29)30)14-25(27(34,35)36,37-23(21)39)19-10-9-17(13-20(19)28)43-12-4-2-3-11-26(31,32)33/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,37,39)(H,38,40)/t25-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	65
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosph...				US Patent US9365558 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T8B
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090510 (CHEMBL3581716) Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201507 (US9187424, 274) Show SMILES FC(F)Oc1ccc(cc1)C1=C(c2nn[nH]n2)C(=O)NC(C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F Show InChI InChI=1/C26H22F9N5O3/c27-19-12-16(42-11-3-1-2-10-25(30,31)32)8-9-18(19)24(26(33,34)35)13-17(14-4-6-15(7-5-14)43-23(28)29)20(22(41)36-24)21-37-39-40-38-21/h4-9,12,23H,1-3,10-11,13H2,(H,36,41)(H,37,38,39,40)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM253633 (US9701672, 64) Show SMILES FC(F)(F)CCCOc1ccc(c(Cl)c1)[C@@]1(CC(c2ncc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C23H19ClF6N6O2S/c24-15-8-12(38-7-1-6-22(25,26)27)4-5-14(15)21(23(28,29)30)9-13(20-31-10-16(39-20)11-2-3-11)17(19(37)32-21)18-33-35-36-34-18/h4-5,8,10-11H,1-3,6-7,9H2,(H,32,37)(H,33,34,35,36)/t21-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM247150 ((S,E)-2-Methyl-N-(2,2,2-trifluoro-1-(4-((5,5,5-tri...) Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C24H20F7N5O2S/c25-16-10-13(38-9-1-8-23(26,27)28)4-5-15(16)22(24(29,30)31)11-14(18-7-6-17(39-18)12-2-3-12)19(21(37)32-22)20-33-35-36-34-20/h4-7,10,12H,1-3,8-9,11H2,(H,32,37)(H,33,34,35,36)/t22-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM247168 (1-(5-Cyclopropylthiazol-2-yl)ethanone | US9701672,...) Show SMILES FC(F)(F)CCCCc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C25H25F6N7O/c26-24(27,28)11-2-1-3-15-6-8-17(9-7-15)23(25(29,30)31)13-18(19-10-12-38(35-19)14-16-4-5-16)20(22(39)32-23)21-33-36-37-34-21/h6-10,12,16H,1-5,11,13-14H2,(H,32,39)(H,33,34,36,37)/t23-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090666 (CHEMBL3581717) Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccc(F)cc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H22F3N3O3S/c1-15(31)28-23-14-20(34(32,33)29-22-7-6-19(26)13-21(22)27)12-17-9-11-30(24(17)23)10-8-16-2-4-18(25)5-3-16/h2-7,12-14,29H,8-11H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM253628 (US9701672, 59) Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ncc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C23H19F7N6O2S/c24-15-8-12(38-7-1-6-22(25,26)27)4-5-14(15)21(23(28,29)30)9-13(20-31-10-16(39-20)11-2-3-11)17(19(37)32-21)18-33-35-36-34-18/h4-5,8,10-11H,1-3,6-7,9H2,(H,32,37)(H,33,34,35,36)/t21-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM253626 (US9701672, 57) Show SMILES COc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C25H23F6N5O3S/c1-38-17-11-14(39-10-2-9-24(26,27)28)5-6-16(17)23(25(29,30)31)12-15(19-8-7-18(40-19)13-3-4-13)20(22(37)32-23)21-33-35-36-34-21/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,32,37)(H,33,34,35,36)/t23-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM253649 ((S)—N-(4-(5-Ethylthiophen-2-yl)-2-oxo-6-(4-((...) Show SMILES CCc1ccc(s1)C1=C(NC(=O)CS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C27H30F6N2O5S2/c1-3-19-11-12-21(41-19)20-15-25(27(31,32)33,35-24(37)23(20)34-22(36)16-42(2,38)39)17-7-9-18(10-8-17)40-14-6-4-5-13-26(28,29)30/h7-12H,3-6,13-16H2,1-2H3,(H,34,36)(H,35,37)/t25-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM247154 (1-(5-Methylthiazol-2-yl)ethanone | US9701672, 8) Show SMILES FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C26H25F6N5O2S/c27-25(28,29)12-2-1-3-13-39-17-8-6-16(7-9-17)24(26(30,31)32)14-18(20-11-10-19(40-20)15-4-5-15)21(23(38)33-24)22-34-36-37-35-22/h6-11,15H,1-5,12-14H2,(H,33,38)(H,34,35,36,37)/t24-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50433276 (CHEMBL2376316) Show SMILES CCC1(CC)CNc2ccc(cc2C(=O)N1)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C19H21F2N3O3S/c1-3-19(4-2)11-22-16-8-6-13(10-14(16)18(25)23-19)28(26,27)24-17-7-5-12(20)9-15(17)21/h5-10,22,24H,3-4,11H2,1-2H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...				Bioorg Med Chem Lett 23: 2721-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.084 BindingDB Entry DOI: 10.7270/Q2GB25DM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM272063 (US10065945, Example 57) Show SMILES C[C@@H](N1CCc2ccc(cc2C1)S(=O)(=O)Nc1nc(no1)C(=O)N1CCCC1)c1cc(F)cc(F)c1 Show InChI InChI=1/C24H25F2N5O4S/c1-15(17-10-19(25)13-20(26)11-17)31-9-6-16-4-5-21(12-18(16)14-31)36(33,34)29-24-27-22(28-35-24)23(32)30-7-2-3-8-30/h4-5,10-13,15H,2-3,6-9,14H2,1H3,(H,27,28,29)/t15-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...				US Patent US10065945 (2018) Article DOI: 10.1021/jm0496741 BindingDB Entry DOI: 10.7270/Q24X59TJ
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (MGAT2) (Homo sapiens (Human))	BDBM235217 (US9365558, 40 | US9822074, 40) Show SMILES CCCCCCCc1cnc(s1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F Show InChI InChI=1/C27H32F3N3O4S2/c1-3-4-5-6-7-8-19-16-31-25(38-19)26(27(28,29)30)15-21(18-11-9-17(2)10-12-18)22(23(34)32-26)24(35)33-39(36,37)20-13-14-20/h9-12,16,20H,3-8,13-15H2,1-2H3,(H,32,34)(H,33,35)/t26-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosphat...				US Patent US9822074 (2017) Article DOI: 10.1128/AAC.00448-06
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201239 (US9187424, 6-2) Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1 Show InChI InChI=1/C31H28F6N2O4/c1-19-4-6-20(7-5-19)25-18-29(31(35,36)37,21-8-12-24(13-9-21)43-17-3-16-30(32,33)34)39-28(41)26(25)27(40)38-22-10-14-23(42-2)15-11-22/h4-15H,3,16-18H2,1-2H3,(H,38,40)(H,39,41)/t29-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (MGAT2) (Homo sapiens (Human))	BDBM235250 (US9365558, 73 | US9822074, 73) Show SMILES FC(F)(F)CCCCc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C28H30F6N4O4S/c29-27(30,31)13-2-1-3-17-6-8-19(9-7-17)26(28(32,33)34)15-21(22-12-14-38(36-22)16-18-4-5-18)23(24(39)35-26)25(40)37-43(41,42)20-10-11-20/h6-9,12,14,18,20H,1-5,10-11,13,15-16H2,(H,35,39)(H,37,40)/t26-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosphat...				US Patent US9822074 (2017) Article DOI: 10.1128/AAC.00448-06
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (MGAT2) (Homo sapiens (Human))	BDBM235259 (US9365558, 82 | US9822074, 82) Show SMILES CCc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C)(C1)c1ccc(OCCCC(F)(F)F)cc1 Show InChI InChI=1/C28H31F3N2O5S/c1-3-18-5-7-19(8-6-18)23-17-27(2,20-9-11-21(12-10-20)38-16-4-15-28(29,30)31)32-25(34)24(23)26(35)33-39(36,37)22-13-14-22/h5-12,22H,3-4,13-17H2,1-2H3,(H,32,34)(H,33,35)/t27-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosphat...				US Patent US9822074 (2017) Article DOI: 10.1128/AAC.00448-06
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (MGAT2) (Homo sapiens (Human))	BDBM235247 (US9365558, 70 | US9822074, 70) Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ncc(s2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C26H24F7N3O5S2/c27-18-10-14(41-9-1-8-25(28,29)30)4-7-17(18)24(26(31,32)33)11-16(23-34-12-19(42-23)13-2-3-13)20(21(37)35-24)22(38)36-43(39,40)15-5-6-15/h4,7,10,12-13,15H,1-3,5-6,8-9,11H2,(H,35,37)(H,36,38)/t24-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosphat...				US Patent US9822074 (2017) Article DOI: 10.1128/AAC.00448-06
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201531 (US9187424, 298) Show SMILES CCCCCCC#CC1(CC(=C(NC(=O)CNS(C)(=O)=O)C(=O)N1)c1ccc(C)cc1)C(F)(F)F Show InChI InChI=1/C24H30F3N3O4S/c1-4-5-6-7-8-9-14-23(24(25,26)27)15-19(18-12-10-17(2)11-13-18)21(22(32)30-23)29-20(31)16-28-35(3,33)34/h10-13,28H,4-8,15-16H2,1-3H3,(H,29,31)(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201529 (US9187424, 296) Show SMILES COc1ccc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2F)cc1 Show InChI InChI=1/C31H27F7N2O4/c1-18-4-13-23(25(32)16-18)24-17-29(31(36,37)38,19-5-9-22(10-6-19)44-15-3-14-30(33,34)35)40-28(42)26(24)27(41)39-20-7-11-21(43-2)12-8-20/h4-13,16H,3,14-15,17H2,1-2H3,(H,39,41)(H,40,42)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201513 (US9187424, 280) Show SMILES FC(F)Oc1ccc(cc1)C1=C(C(=O)Nc2cccnc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C29H23F8N3O4/c30-26(31)44-21-8-4-17(5-9-21)22-15-27(29(35,36)37,18-6-10-20(11-7-18)43-14-2-12-28(32,33)34)40-25(42)23(22)24(41)39-19-3-1-13-38-16-19/h1,3-11,13,16,26H,2,12,14-15H2,(H,39,41)(H,40,42)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201512 (US9187424, 279) Show SMILES Cc1ccc(cc1)C1=C(NC(=O)CS(C)(=O)=O)C(=O)NC(C1)(c1ccc(OCc2ccccc2)cc1)C(F)(F)F Show InChI InChI=1/C29H27F3N2O5S/c1-19-8-10-21(11-9-19)24-16-28(29(30,31)32,34-27(36)26(24)33-25(35)18-40(2,37)38)22-12-14-23(15-13-22)39-17-20-6-4-3-5-7-20/h3-15H,16-18H2,1-2H3,(H,33,35)(H,34,36)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201511 (US9187424, 278) Show SMILES Cc1ccc(cc1)C1=C(c2nn[nH]n2)C(=O)NC(C1)(c1ccc(OCCCCC(F)(F)F)cc1F)C(F)(F)F Show InChI InChI=1/C25H22F7N5O2/c1-14-4-6-15(7-5-14)17-13-23(25(30,31)32,33-22(38)20(17)21-34-36-37-35-21)18-9-8-16(12-19(18)26)39-11-3-2-10-24(27,28)29/h4-9,12H,2-3,10-11,13H2,1H3,(H,33,38)(H,34,35,36,37)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201510 (US9187424, 277) Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1C1(CC(=C(c2nn[nH]n2)C(=O)N1)c1ccc(CC2CC2)cc1)C(F)(F)F Show InChI InChI=1/C27H24F7N5O2/c28-21-13-18(41-11-1-10-26(29,30)31)8-9-20(21)25(27(32,33)34)14-19(22(24(40)35-25)23-36-38-39-37-23)17-6-4-16(5-7-17)12-15-2-3-15/h4-9,13,15H,1-3,10-12,14H2,(H,35,40)(H,36,37,38,39)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201444 (US9187424, 210) Show SMILES FC(F)(F)CCCOc1ccc(cc1)C1(CC(=C(c2nn[nH]n2)C(=O)N1)c1ccc2CCCCc2c1)C(F)(F)F Show InChI InChI=1/C27H25F6N5O2/c28-26(29,30)12-3-13-40-20-10-8-19(9-11-20)25(27(31,32)33)15-21(22(24(39)34-25)23-35-37-38-36-23)18-7-6-16-4-1-2-5-17(16)14-18/h6-11,14H,1-5,12-13,15H2,(H,34,39)(H,35,36,37,38)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201401 (US9187424, 167) Show SMILES FC(F)Oc1ccc(cc1)C1=C(NC(=O)c2ccno2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C27H21F8N3O5/c28-24(29)42-18-6-2-15(3-7-18)19-14-25(27(33,34)35,38-23(40)21(19)37-22(39)20-10-12-36-43-20)16-4-8-17(9-5-16)41-13-1-11-26(30,31)32/h2-10,12,24H,1,11,13-14H2,(H,37,39)(H,38,40)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201317 (US9187424, 81 | US9187424, 91) Show SMILES COc1ccc(C2=C(C#N)C(=O)NC(C2)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c(F)c1 Show InChI InChI=1/C24H19F7N2O3/c1-35-16-7-8-17(20(25)11-16)18-12-22(24(29,30)31,33-21(34)19(18)13-32)14-3-5-15(6-4-14)36-10-2-9-23(26,27)28/h3-8,11H,2,9-10,12H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201320 (US9187424, 84) Show SMILES COc1ccc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1F Show InChI InChI=1/C31H27F7N2O4/c1-18-4-6-19(7-5-18)23-17-29(31(36,37)38,20-8-11-22(12-9-20)44-15-3-14-30(33,34)35)40-28(42)26(23)27(41)39-21-10-13-25(43-2)24(32)16-21/h4-13,16H,3,14-15,17H2,1-2H3,(H,39,41)(H,40,42)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201413 (US9187424, 179) Show SMILES Cc1ccc(cc1)C1=C(NC(=O)c2cc(Br)no2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C27H22BrF6N3O4/c1-15-3-5-16(6-4-15)19-14-25(27(32,33)34,17-7-9-18(10-8-17)40-12-2-11-26(29,30)31)36-24(39)22(19)35-23(38)20-13-21(28)37-41-20/h3-10,13H,2,11-12,14H2,1H3,(H,35,38)(H,36,39)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235217 (US9365558, 40 | US9822074, 40) Show SMILES CCCCCCCc1cnc(s1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F Show InChI InChI=1/C27H32F3N3O4S2/c1-3-4-5-6-7-8-19-16-31-25(38-19)26(27(28,29)30)15-21(18-11-9-17(2)10-12-18)22(23(34)32-26)24(35)33-39(36,37)20-13-14-20/h9-12,16,20H,3-8,13-15H2,1-2H3,(H,32,34)(H,33,35)/t26-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	65
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosph...				US Patent US9365558 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T8B
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM289045 (US10093650, Example 22) Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ncc([nH]2)C2CC2)=C(C(=O)N1)n1nn[nH]c1=O)C(F)(F)F Show InChI InChI=1/C23H20F7N7O3/c24-15-8-12(40-7-1-6-22(25,26)27)4-5-14(15)21(23(28,29)30)9-13(18-31-10-16(32-18)11-2-3-11)17(19(38)33-21)37-20(39)34-35-36-37/h4-5,8,10-11H,1-3,6-7,9H2,(H,31,32)(H,33,38)(H,34,36,39)/t21-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US10093650 (2018) Article DOI: 10.1021/jm060882y BindingDB Entry DOI: 10.7270/Q22809MS
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235259 (US9365558, 82 | US9822074, 82) Show SMILES CCc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C)(C1)c1ccc(OCCCC(F)(F)F)cc1 Show InChI InChI=1/C28H31F3N2O5S/c1-3-18-5-7-19(8-6-18)23-17-27(2,20-9-11-21(12-10-20)38-16-4-15-28(29,30)31)32-25(34)24(23)26(35)33-39(36,37)22-13-14-22/h5-12,22H,3-4,13-17H2,1-2H3,(H,32,34)(H,33,35)/t27-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	65
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosph...				US Patent US9365558 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T8B
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201508 (US9187424, 275) Show SMILES FC(F)Oc1ccc(cc1)C1=C(NC(=O)c2ccncc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C29H23F8N3O4/c30-26(31)44-21-6-2-17(3-7-21)22-16-27(29(35,36)37,19-4-8-20(9-5-19)43-15-1-12-28(32,33)34)40-25(42)23(22)39-24(41)18-10-13-38-14-11-18/h2-11,13-14,26H,1,12,15-16H2,(H,39,41)(H,40,42)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201509 (US9187424, 276) Show SMILES Fc1cc(OCCCCCC(F)(F)F)ccc1C1(CC(=C(c2nn[nH]n2)C(=O)N1)c1ccc2ccccc2c1)C(F)(F)F Show InChI InChI=1/C29H24F7N5O2/c30-23-15-20(43-13-5-1-4-12-28(31,32)33)10-11-22(23)27(29(34,35)36)16-21(24(26(42)37-27)25-38-40-41-39-25)19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,37,42)(H,38,39,40,41)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235247 (US9365558, 70 | US9822074, 70) Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ncc(s2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C26H24F7N3O5S2/c27-18-10-14(41-9-1-8-25(28,29)30)4-7-17(18)24(26(31,32)33)11-16(23-34-12-19(42-23)13-2-3-13)20(21(37)35-24)22(38)36-43(39,40)15-5-6-15/h4,7,10,12-13,15H,1-3,5-6,8-9,11H2,(H,35,37)(H,36,38)/t24-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	65
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosph...				US Patent US9365558 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T8B
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235250 (US9365558, 73 | US9822074, 73) Show SMILES FC(F)(F)CCCCc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F Show InChI InChI=1/C28H30F6N4O4S/c29-27(30,31)13-2-1-3-17-6-8-19(9-7-17)26(28(32,33)34)15-21(22-12-14-38(36-22)16-18-4-5-18)23(24(39)35-26)25(40)37-43(41,42)20-10-11-20/h6-9,12,14,18,20H,1-5,10-11,13,15-16H2,(H,35,39)(H,37,40)/t26-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	65
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosph...				US Patent US9365558 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T8B
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201318 (US9187424, 82) Show SMILES Cc1ccc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1 Show InChI InChI=1/C31H28F6N2O3/c1-19-4-8-21(9-5-19)25-18-29(31(35,36)37,22-10-14-24(15-11-22)42-17-3-16-30(32,33)34)39-28(41)26(25)27(40)38-23-12-6-20(2)7-13-23/h4-15H,3,16-18H2,1-2H3,(H,38,40)(H,39,41)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM247169 (1-(5-Ethylthiazol-2-yl)ethanone | US9701672, 23) Show SMILES CC(C)n1ccc(n1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1/C24H25F6N7O/c1-14(2)37-12-10-18(34-37)17-13-22(24(28,29)30,31-21(38)19(17)20-32-35-36-33-20)16-8-6-15(7-9-16)5-3-4-11-23(25,26)27/h6-10,12,14H,3-5,11,13H2,1-2H3,(H,31,38)(H,32,33,35,36)/t22-/s2	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...				US Patent US9701672 (2017) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2DV1MXW
					More data for this Ligand-Target Pair

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