Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'negash' and Initial = 'la'   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472800 (3-(((2S,3 S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2...) Show SMILES CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C17H19FN2O4S/c1-3-8-11(20-17(22)15(8)18)6-24-13-7-25-14-5-10(16(19)21)12(23-2)4-9(13)14/h4-5,7-8,11,15H,3,6H2,1-2H3,(H2,19,21)(H,20,22)/t8-,11+,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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472797 (3-(((2S,3S)-3-Ethyl-4,4-difluoro-5-oxopyrrolidin-2...) Show SMILES CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)C1(F)F |r| Show InChI InChI=1S/C16H17F2N3O4S/c1-3-8-9(20-15(23)16(8,17)18)5-25-10-6-26-11-4-7(13(19)22)14(24-2)21-12(10)11/h4,6,8-9H,3,5H2,1-2H3,(H2,19,22)(H,20,23)/t8-,9+/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472804 (US10829496, Example 8) Show SMILES CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@@H]1F |r| Show InChI InChI=1S/C16H18FN3O4S/c1-3-7-9(19-15(22)12(7)17)5-24-10-6-25-11-4-8(14(18)21)16(23-2)20-13(10)11/h4,6-7,9,12H,3,5H2,1-2H3,(H2,18,21)(H,19,22)/t7-,9+,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472825 (US10829496, Example 29) Show SMILES CC[C@@H]1CC(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C17H20N2O4S/c1-3-9-4-16(20)19-12(9)7-23-14-8-24-15-6-11(17(18)21)13(22-2)5-10(14)15/h5-6,8-9,12H,3-4,7H2,1-2H3,(H2,18,21)(H,19,20)/t9-,12-/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					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 |r,t:7| Show InChI InChI=1S/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-/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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					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 |r,t:7| Show InChI InChI=1S/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-/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	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 |r,t:7| Show InChI InChI=1S/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-/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	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))	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 |r,t:7| Show InChI InChI=1S/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-/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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472802 (US10829496, Example 6) Show SMILES CC[C@@H]1CC(=O)N[C@@H]1COc1csc2cc(C(N)=O)c(OC)nc12 |r| Show InChI InChI=1S/C16H19N3O4S/c1-3-8-4-13(20)18-10(8)6-23-11-7-24-12-5-9(15(17)21)16(22-2)19-14(11)12/h5,7-8,10H,3-4,6H2,1-2H3,(H2,17,21)(H,18,20)/t8-,10-/m1/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472823 (US10829496, Example 27) Show SMILES COc1nc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)csc2cc1C(N)=O |r| Show InChI InChI=1S/C15H16FN3O4S/c1-6-8(18-14(21)11(6)16)4-23-9-5-24-10-3-7(13(17)20)15(22-2)19-12(9)10/h3,5-6,8,11H,4H2,1-2H3,(H2,17,20)(H,18,21)/t6-,8+,11+/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472798 (3-(((2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-...) Show SMILES CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C16H18FN3O4S/c1-3-7-9(19-15(22)12(7)17)5-24-10-6-25-11-4-8(14(18)21)16(23-2)20-13(10)11/h4,6-7,9,12H,3,5H2,1-2H3,(H2,18,21)(H,19,22)/t7-,9+,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472817 (US10829496, Example 21) Show SMILES COc1nc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)csc2cc1C(N)=O |r| Show InChI InChI=1S/C15H15F2N3O4S/c1-6-8(19-14(22)15(6,16)17)4-24-9-5-25-10-3-7(12(18)21)13(23-2)20-11(9)10/h3,5-6,8H,4H2,1-2H3,(H2,18,21)(H,19,22)/t6-,8+/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472819 (US10829496, Example 23) Show SMILES CC[C@H]1[C@@H](COc2csc3cc(C(N)=O)c(OC(C)C)nc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H22FN3O4S/c1-4-9-11(21-17(24)14(9)19)6-25-12-7-27-13-5-10(16(20)23)18(22-15(12)13)26-8(2)3/h5,7-9,11,14H,4,6H2,1-3H3,(H2,20,23)(H,21,24)/t9-,11+,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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					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 |r,t:15| Show InChI InChI=1S/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-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					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 |r,t:28| Show InChI InChI=1S/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-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					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 |r,t:28| Show InChI InChI=1S/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-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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))	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 |r,t:28| Show InChI InChI=1S/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-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					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 |r,c:9| Show InChI InChI=1S/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-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					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 |r,t:15| Show InChI InChI=1S/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-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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))	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 |r,c:9| Show InChI InChI=1S/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-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 |r,t:28| Show InChI InChI=1S/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-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472808 (US10829496, Example 12) Show SMILES COc1nc2c(OC[C@H]3NC(=O)C[C@H]3C(F)F)csc2cc1C(N)=O |r| Show InChI InChI=1S/C15H15F2N3O4S/c1-23-15-7(14(18)22)2-10-12(20-15)9(5-25-10)24-4-8-6(13(16)17)3-11(21)19-8/h2,5-6,8,13H,3-4H2,1H3,(H2,18,22)(H,19,21)/t6-,8-/m1/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472814 (US10829496, Example 18) Show SMILES COc1nc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C3CC3)csc2cc1C(N)=O |r| Show InChI InChI=1S/C17H18FN3O4S/c1-24-17-8(15(19)22)4-11-14(21-17)10(6-26-11)25-5-9-12(7-2-3-7)13(18)16(23)20-9/h4,6-7,9,12-13H,2-3,5H2,1H3,(H2,19,22)(H,20,23)/t9-,12+,13-/m1/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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235256 (US9365558, 79 | US9822074, 79) Show SMILES FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F |r,t:30| Show InChI InChI=1S/C29H32F6N4O5S/c30-28(31,32)13-2-1-3-15-44-20-8-6-19(7-9-20)27(29(33,34)35)16-22(23-12-14-39(37-23)17-18-4-5-18)24(25(40)36-27)26(41)38-45(42,43)21-10-11-21/h6-9,12,14,18,21H,1-5,10-11,13,15-17H2,(H,36,40)(H,38,41)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM235256 (US9365558, 79 | US9822074, 79) Show SMILES FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F |r,t:30| Show InChI InChI=1S/C29H32F6N4O5S/c30-28(31,32)13-2-1-3-15-44-20-8-6-19(7-9-20)27(29(33,34)35)16-22(23-12-14-39(37-23)17-18-4-5-18)24(25(40)36-27)26(41)38-45(42,43)21-10-11-21/h6-9,12,14,18,21H,1-5,10-11,13,15-17H2,(H,36,40)(H,38,41)/t27-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM359781 (US9822074, 49 | US9822074, 51) Show SMILES CC(C)n1ccc(n1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:9| Show InChI InChI=1S/C27H29F7N4O4S/c1-15(2)38-12-10-21(36-38)18-14-25(27(32,33)34,35-23(39)22(18)24(40)37-43(41,42)17-7-8-17)19-9-6-16(13-20(19)28)5-3-4-11-26(29,30)31/h6,9-10,12-13,15,17H,3-5,7-8,11,14H2,1-2H3,(H,35,39)(H,37,40)/t25-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235199 (US9365558, 22 | US9822074, 99) Show SMILES COc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:9| Show InChI InChI=1S/C29H29F7N2O6S/c1-43-18-7-5-17(6-8-18)21-16-27(29(34,35)36,37-25(39)24(21)26(40)38-45(41,42)20-10-11-20)22-12-9-19(15-23(22)30)44-14-4-2-3-13-28(31,32)33/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(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	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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235199 (US9365558, 22 | US9822074, 99) Show SMILES COc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:9| Show InChI InChI=1S/C29H29F7N2O6S/c1-43-18-7-5-17(6-8-18)21-16-27(29(34,35)36,37-25(39)24(21)26(40)38-45(41,42)20-10-11-20)22-12-9-19(15-23(22)30)44-14-4-2-3-13-28(31,32)33/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(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	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))	BDBM235228 (US9365558, 51) Show SMILES CC(C)n1ccc(c1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:9| Show InChI InChI=1S/C28H30F7N3O4S/c1-16(2)38-12-10-18(15-38)20-14-26(28(33,34)35,36-24(39)23(20)25(40)37-43(41,42)19-7-8-19)21-9-6-17(13-22(21)29)5-3-4-11-27(30,31)32/h6,9-10,12-13,15-16,19H,3-5,7-8,11,14H2,1-2H3,(H,36,39)(H,37,40)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM235236 (US9365558, 59 | US9822074, 59) Show SMILES FC(F)(F)CCCCCn1cc(cn1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F |r,t:27| Show InChI InChI=1S/C26H28F6N4O4S2/c27-25(28,29)10-2-1-3-11-36-14-16(13-33-36)24(26(30,31)32)12-18(20-9-8-19(41-20)15-4-5-15)21(22(37)34-24)23(38)35-42(39,40)17-6-7-17/h8-9,13-15,17H,1-7,10-12H2,(H,34,37)(H,35,38)/t24-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235249 (US9365558, 72 | US9822074, 72) Show SMILES CC(C)n1ccc(c1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9| Show InChI InChI=1S/C29H33F6N3O5S/c1-18(2)38-14-12-19(17-38)23-16-27(29(33,34)35,36-25(39)24(23)26(40)37-44(41,42)22-10-11-22)20-6-8-21(9-7-20)43-15-5-3-4-13-28(30,31)32/h6-9,12,14,17-18,22H,3-5,10-11,13,15-16H2,1-2H3,(H,36,39)(H,37,40)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM235183 (US9365558, 6 | US9822074, 6) Show SMILES Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:8| Show InChI InChI=1S/C29H29F7N2O5S/c1-17-5-7-18(8-6-17)21-16-27(29(34,35)36,37-25(39)24(21)26(40)38-44(41,42)20-10-11-20)22-12-9-19(15-23(22)30)43-14-4-2-3-13-28(31,32)33/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(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	4	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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235200 (US9365558, 23 | US9822074, 23) Show SMILES FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(CC2CC2)cc1)C(F)(F)F |r,t:19| Show InChI InChI=1S/C32H34F6N2O5S/c33-31(34,35)16-2-1-3-17-45-24-12-10-23(11-13-24)30(32(36,37)38)19-26(22-8-6-21(7-9-22)18-20-4-5-20)27(28(41)39-30)29(42)40-46(43,44)25-14-15-25/h6-13,20,25H,1-5,14-19H2,(H,39,41)(H,40,42)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM235197 (US9365558, 20 | US9822074, 20) Show SMILES CC(C)(C)c1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:11| Show InChI InChI=1S/C32H36F6N2O5S/c1-29(2,3)21-9-7-20(8-10-21)25-19-30(32(36,37)38,39-27(41)26(25)28(42)40-46(43,44)24-15-16-24)22-11-13-23(14-12-22)45-18-6-4-5-17-31(33,34)35/h7-14,24H,4-6,15-19H2,1-3H3,(H,39,41)(H,40,42)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM235192 (US9365558, 15 | US9822074, 15) Show SMILES CCCCCCC#C[C@@]1(CC(=C(C(=O)NS(C)(=O)=O)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |r,t:10| Show InChI InChI=1S/C23H27F3N2O4S/c1-4-5-6-7-8-9-14-22(23(24,25)26)15-18(17-12-10-16(2)11-13-17)19(20(29)27-22)21(30)28-33(3,31)32/h10-13H,4-8,15H2,1-3H3,(H,27,29)(H,28,30)/t22-/m1/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235197 (US9365558, 20 | US9822074, 20) Show SMILES CC(C)(C)c1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:11| Show InChI InChI=1S/C32H36F6N2O5S/c1-29(2,3)21-9-7-20(8-10-21)25-19-30(32(36,37)38,39-27(41)26(25)28(42)40-46(43,44)24-15-16-24)22-11-13-23(14-12-22)45-18-6-4-5-17-31(33,34)35/h7-14,24H,4-6,15-19H2,1-3H3,(H,39,41)(H,40,42)/t30-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235271 (US9365558, 94 | US9822074, 94) Show SMILES FC(F)(F)CCCCCCn1cc(cn1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc2CCCCc2c1)C(F)(F)F |r,t:18| Show InChI InChI=1S/C30H34F6N4O4S/c31-29(32,33)13-5-1-2-6-14-40-18-22(17-37-40)28(30(34,35)36)16-24(21-10-9-19-7-3-4-8-20(19)15-21)25(26(41)38-28)27(42)39-45(43,44)23-11-12-23/h9-10,15,17-18,23H,1-8,11-14,16H2,(H,38,41)(H,39,42)/t28-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235200 (US9365558, 23 | US9822074, 23) Show SMILES FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(CC2CC2)cc1)C(F)(F)F |r,t:19| Show InChI InChI=1S/C32H34F6N2O5S/c33-31(34,35)16-2-1-3-17-45-24-12-10-23(11-13-24)30(32(36,37)38)19-26(22-8-6-21(7-9-22)18-20-4-5-20)27(28(41)39-30)29(42)40-46(43,44)25-14-15-25/h6-13,20,25H,1-5,14-19H2,(H,39,41)(H,40,42)/t30-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235192 (US9365558, 15 | US9822074, 15) Show SMILES CCCCCCC#C[C@@]1(CC(=C(C(=O)NS(C)(=O)=O)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |r,t:10| Show InChI InChI=1S/C23H27F3N2O4S/c1-4-5-6-7-8-9-14-22(23(24,25)26)15-18(17-12-10-16(2)11-13-17)19(20(29)27-22)21(30)28-33(3,31)32/h10-13H,4-8,15H2,1-3H3,(H,27,29)(H,28,30)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM235199 (US9365558, 22 | US9822074, 99) Show SMILES COc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:9| Show InChI InChI=1S/C29H29F7N2O6S/c1-43-18-7-5-17(6-8-18)21-16-27(29(34,35)36,37-25(39)24(21)26(40)38-45(41,42)20-10-11-20)22-12-9-19(15-23(22)30)44-14-4-2-3-13-28(31,32)33/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(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	4	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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235249 (US9365558, 72 | US9822074, 72) Show SMILES CC(C)n1ccc(c1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9| Show InChI InChI=1S/C29H33F6N3O5S/c1-18(2)38-14-12-19(17-38)23-16-27(29(33,34)35,36-25(39)24(23)26(40)37-44(41,42)22-10-11-22)20-6-8-21(9-7-20)43-15-5-3-4-13-28(30,31)32/h6-9,12,14,17-18,22H,3-5,10-11,13,15-16H2,1-2H3,(H,36,39)(H,37,40)/t27-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235242 (US9365558, 65 | US9822074, 65) Show SMILES CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc(s1)C1CC1 |r,t:7| Show InChI InChI=1S/C25H23F7N2O5S2/c1-41(37,38)34-22(36)20-15(19-8-7-18(40-19)13-3-4-13)12-23(25(30,31)32,33-21(20)35)16-6-5-14(11-17(16)26)39-10-2-9-24(27,28)29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,33,35)(H,34,36)/t23-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235276 (US9365558, 99) Show SMILES COc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F |c:9| Show InChI InChI=1S/C29H29F7N2O6S/c1-43-18-7-5-17(6-8-18)21-16-27(29(34,35)36,37-25(39)24(21)26(40)38-45(41,42)20-10-11-20)22-12-9-19(15-23(22)30)44-14-4-2-3-13-28(31,32)33/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(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	4	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))	BDBM235271 (US9365558, 94 | US9822074, 94) Show SMILES FC(F)(F)CCCCCCn1cc(cn1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc2CCCCc2c1)C(F)(F)F |r,t:18| Show InChI InChI=1S/C30H34F6N4O4S/c31-29(32,33)13-5-1-2-6-14-40-18-22(17-37-40)28(30(34,35)36)16-24(21-10-9-19-7-3-4-8-20(19)15-21)25(26(41)38-28)27(42)39-45(43,44)23-11-12-23/h9-10,15,17-18,23H,1-8,11-14,16H2,(H,38,41)(H,39,42)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM472807 (US10829496, Example 11) Show SMILES COc1nc2c(OC[C@@H]3C[C@@H](F)C(=O)N3)csc2cc1C(N)=O |r| Show InChI InChI=1S/C14H14FN3O4S/c1-21-14-7(12(16)19)3-10-11(18-14)9(5-23-10)22-4-6-2-8(15)13(20)17-6/h3,5-6,8H,2,4H2,1H3,(H2,16,19)(H,17,20)/t6-,8+/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
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...				US Patent US10829496 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FNP
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235236 (US9365558, 59 | US9822074, 59) Show SMILES FC(F)(F)CCCCCn1cc(cn1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F |r,t:27| Show InChI InChI=1S/C26H28F6N4O4S2/c27-25(28,29)10-2-1-3-11-36-14-16(13-33-36)24(26(30,31)32)12-18(20-9-8-19(41-20)15-4-5-15)21(22(37)34-24)23(38)35-42(39,40)17-6-7-17/h8-9,13-15,17H,1-7,10-12H2,(H,34,37)(H,35,38)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM235242 (US9365558, 65 | US9822074, 65) Show SMILES CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc(s1)C1CC1 |r,t:7| Show InChI InChI=1S/C25H23F7N2O5S2/c1-41(37,38)34-22(36)20-15(19-8-7-18(40-19)13-3-4-13)12-23(25(30,31)32,33-21(20)35)16-6-5-14(11-17(16)26)39-10-2-9-24(27,28)29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,33,35)(H,34,36)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM235183 (US9365558, 6 | US9822074, 6) Show SMILES Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:8| Show InChI InChI=1S/C29H29F7N2O5S/c1-17-5-7-18(8-6-17)21-16-27(29(34,35)36,37-25(39)24(21)26(40)38-44(41,42)20-10-11-20)22-12-9-19(15-23(22)30)43-14-4-2-3-13-28(31,32)33/h5-9,12,15,20H,2-4,10-11,13-14,16H2,1H3,(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	4	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))	BDBM235240 (US9365558, 63 | US9822074, 63) Show SMILES FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F |r,t:27| Show InChI InChI=1S/C27H26F6N2O5S2/c28-26(29,30)12-1-13-40-17-6-4-16(5-7-17)25(27(31,32)33)14-19(21-11-10-20(41-21)15-2-3-15)22(23(36)34-25)24(37)35-42(38,39)18-8-9-18/h4-7,10-11,15,18H,1-3,8-9,12-14H2,(H,34,36)(H,35,37)/t25-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235207 (US9365558, 30 | US9822074, 30) Show SMILES Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C(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/C25H21F9N2O5S/c1-14-3-5-15(6-4-14)18-13-22(24(29,30)31,16-7-9-17(10-8-16)41-12-2-11-23(26,27)28)35-20(37)19(18)21(38)36-42(39,40)25(32,33)34/h3-10H,2,11-13H2,1H3,(H,35,37)(H,36,38)/t22-/m0/s1	PDB UniProtKB/SwissProt 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
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) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair

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