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Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 250   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM253625
PNG
(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 |r,t:28|
PDB

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US Patent
n/an/a 0.200n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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
PNG
(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 |r,c:8|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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
PNG
(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 |r,t:30|
PDB

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n/an/a 0.700n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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
PNG
((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 |r,t:28|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253633
PNG
(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 |r,t:28|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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
PNG
((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 |r,t:28|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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
PNG
(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 |r,t:28|
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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
PNG
(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 |r,t:29|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253628
PNG
(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 |r,t:28|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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
PNG
(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 |r,t:29|
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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
PNG
((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 |r,c:8|
Show InChI InChI=1S/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-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253631
PNG
(US9701672, 62)
Show SMILES CCc1cnc(s1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:8|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247169
PNG
(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 |r,c:9|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247152
PNG
(1-(5-Cyclopropylthiophen-2-yl)ethanone | US9701672...)
Show SMILES CCCCCCC#C[C@@]1(CC(c2ccc(Br)s2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:17|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253627
PNG
(US9701672, 58)
Show SMILES CCc1ccc(s1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247056
PNG
((S,E)-2-Methyl-N-(2,2,2-trifluoro-1-(4-(4,4,4-trif...)
Show SMILES CC(C)(C)[S@](=O)\N=C(/c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C16H19F6NO2S/c1-14(2,3)26(24)23-13(16(20,21)22)11-5-7-12(8-6-11)25-10-4-9-15(17,18)19/h5-8H,4,9-10H2,1-3H3/b23-13+/t26-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM249008
PNG
(US9701672, 30)
Show SMILES FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:30|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM252410
PNG
(US9701672, 47)
Show SMILES Fc1cc(CCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(n2)C2CCC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:29|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM249861
PNG
(US9701672, 42)
Show SMILES Fc1cc(CCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(CC3CC3)n2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:29|
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253621
PNG
(US9701672, 52)
Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(CC3CC3)n2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:29|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM251745
PNG
(US9701672, 45)
Show SMILES CN(C)c1cnc(s1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9|
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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253652
PNG
(US9701672, 76)
Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccn(n2)C2CC2)cc1 |r,t:9|
Show InChI InChI=1S/C30H28F6N4O4/c1-43-21-11-5-19(6-12-21)37-26(41)25-23(24-13-15-40(39-24)20-7-8-20)17-28(30(34,35)36,38-27(25)42)18-3-9-22(10-4-18)44-16-2-14-29(31,32)33/h3-6,9-13,15,20H,2,7-8,14,16-17H2,1H3,(H,37,41)(H,38,42)/t28-/m0/s1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253618
PNG
(US9701672, 49)
Show SMILES CCn1ccc(n1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:8|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM249850
PNG
(US9701672, 40)
Show SMILES Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(n2)C2CCC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:29|
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247151
PNG
((S,E)-2-Methyl-N-(1,1,1-trifluorodec-3-yn-2-yliden...)
Show SMILES CCCCCCC#C[C@@]1(CC(c2ccc(Cl)s2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:17|
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n/an/a 7.80n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253624
PNG
(US9701672, 55)
Show SMILES CCCCCCn1cc(cn1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:24|
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n/an/a 7.80n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM251746
PNG
(US9701672, 46 | US9701672, 48)
Show SMILES CC(C)n1ccc(n1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:9|
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n/an/a 8.80n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253634
PNG
(US9701672, 65)
Show SMILES CCc1ccc(s1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(Br)cc1)C(F)(F)F |r,c:8|
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n/an/a 8.80n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247153
PNG
(1-(5-((Dimethylamino)methyl)thiophen-2-yl)ethanone...)
Show SMILES FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2cc3ccccc3s2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:28|
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n/an/a 9n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253619
PNG
(US9701672, 50)
Show SMILES CC(C)Cn1ccc(n1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:10|
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n/an/a 9.40n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253643
PNG
(US9701672, 72)
Show SMILES COc1ccc(cn1)C1=C(C#N)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9|
Show InChI InChI=1S/C25H23F6N3O3/c1-36-21-10-5-16(15-33-21)19-13-23(25(29,30)31,34-22(35)20(19)14-32)17-6-8-18(9-7-17)37-12-4-2-3-11-24(26,27)28/h5-10,15H,2-4,11-13H2,1H3,(H,34,35)/t23-/m0/s1
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n/an/a 10.3n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM251746
PNG
(US9701672, 46 | US9701672, 48)
Show SMILES CC(C)n1ccc(n1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:9|
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n/an/a 11.4n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM249130
PNG
(US9701672, 35)
Show SMILES CN(C)c1cnc(s1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9|
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n/an/a 11.5n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM249535
PNG
(US9701672, 36 | US9701672, 37)
Show SMILES Cc1ccc(nc1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8|
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n/an/a 12.5n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247172
PNG
(US9701672, 26 | US9701672, 32)
Show SMILES CC(C)n1ccc(n1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9|
PDB

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n/an/a 12.6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247161
PNG
(1-(1-Isopropyl-1H-pyrazol-3-yl)ethanone | US970167...)
Show SMILES Fc1cc(OCCCCCC(F)(F)F)ccc1[C@@]1(CC(c2cnn(c2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:30|
PDB

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n/an/a 14.5n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253645
PNG
((S)-4-(5-Cyclopropylthiophen-2-yl)-2-oxo-6-(4-(4,4...)
Show SMILES FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(C#N)C(=O)N1)C(F)(F)F |r,t:27|
Show InChI InChI=1S/C24H20F6N2O2S/c25-23(26,27)10-1-11-34-16-6-4-15(5-7-16)22(24(28,29)30)12-17(18(13-31)21(33)32-22)20-9-8-19(35-20)14-2-3-14/h4-9,14H,1-3,10-12H2,(H,32,33)/t22-/m0/s1
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n/an/a 15n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM251563
PNG
(US9701672, 44)
Show SMILES FC(F)(F)CCCCOc1ccc(cc1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:28|
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n/an/a 15.2n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM249801
PNG
(US9701672, 39)
Show SMILES CC(C)n1ccc(n1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:9|
PDB

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n/an/a 16.6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247163
PNG
((S,E)-2-Methyl-N-(2,2,2-trifluoro-1-(4-(5,5,5-trif...)
Show SMILES FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2ccn(n2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:27|
PDB

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n/an/a 16.6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247174
PNG
(US9701672, 28)
Show SMILES CN(C)c1ccc(nc1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:10|
PDB

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n/an/a 17.6n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247159
PNG
(1-(1-Cyclobutyl-1H-pyrazol-3-yl)ethanone | US97016...)
Show SMILES Cc1cnc(s1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:7|
PDB

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n/an/a 19.4n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM251547
PNG
(US9701672, 43)
Show SMILES CCn1ccc(n1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:8|
PDB

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n/an/a 20.2n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247170
PNG
(US9701672, 24)
Show SMILES FC(F)(F)CCCCc1ccc(cc1)[C@@]1(CC(c2ccn(n2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:27|
PDB

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n/an/a 22.9n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247164
PNG
((S,E)-N-(1-(2-Chloro-4-(4,4,4-trifluorobutoxy)phen...)
Show SMILES FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2cnn(c2)C2CC2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:27|
PDB

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n/an/a 24.5n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253637
PNG
(US9701672, 68)
Show SMILES FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2ccc(Cl)s2)=C(C#N)C(=O)N1)C(F)(F)F |r,t:24|
Show InChI InChI=1S/C21H15ClF6N2O2S/c22-17-7-6-16(33-17)14-10-19(21(26,27)28,30-18(31)15(14)11-29)12-2-4-13(5-3-12)32-9-1-8-20(23,24)25/h2-7H,1,8-10H2,(H,30,31)/t19-/m0/s1
PDB

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n/an/a 30.2n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253642
PNG
(US9701672, 71)
Show SMILES Cc1ccc(s1)C1=C(C#N)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:7|
Show InChI InChI=1S/C24H22F6N2O2S/c1-15-5-10-20(35-15)18-13-22(24(28,29)30,32-21(33)19(18)14-31)16-6-8-17(9-7-16)34-12-4-2-3-11-23(25,26)27/h5-10H,2-4,11-13H2,1H3,(H,32,33)/t22-/m0/s1
PDB

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n/an/a 31.5n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247165
PNG
((S,E)-2-Methyl-N-(2,2,2-trifluoro-1-(2-methoxy-4-(...)
Show SMILES FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(c2nnn[nH]2)C(=O)N1)C(F)(F)F |r,t:28|
PDB

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n/an/a 31.8n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM247155
PNG
(1-(6-(Dimethylamino)pyridin-3-yl)ethanone | US9701...)
Show SMILES CCc1ccc(s1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8|
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


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))
BDBM253641
PNG
(US9701672, 70)
Show SMILES COc1ccc(cn1)C1=C(C#N)C(=O)N[C@@](C1)(c1ccc(OCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:9|
Show InChI InChI=1S/C24H21F6N3O3/c1-35-20-9-4-15(14-32-20)18-12-22(24(28,29)30,33-21(34)19(18)13-31)16-5-7-17(8-6-16)36-11-3-2-10-23(25,26)27/h4-9,14H,2-3,10-12H2,1H3,(H,33,34)/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32.3n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in Corning FALCONŽ 96-well polypropylene plates, in a total volume of 60 μL of 50 mM potassium phosphat...


US Patent US9701672 (2017)


BindingDB Entry DOI: 10.7270/Q2DV1MXW
More data for this
Ligand-Target Pair
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