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Compile Data Set for Download or QSAR

Found 125 hits of ph data with Target = 'Lipoamide Dehydrogenase (Lpd)'   
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
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM119878
PNG
(SL827 | US9073941, 500)
Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1
Show InChI InChI=1S/C15H17BrN4O4S/c1-20(25(22,23)13-7-10(16)8-18-15(13)17)9-14(21)19-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H2,17,18)(H,19,21)
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n/an/a 960n/an/an/an/a7.0n/a



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US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188222
PNG
(US9073941, 501)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(C)cc1
Show InChI InChI=1S/C20H28N4O3S/c1-15(2)23-13-19(22-14-23)28(26,27)24-10-8-18(9-11-24)20(25)21-12-17-6-4-16(3)5-7-17/h4-7,13-15,18H,8-12H2,1-3H3,(H,21,25)
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US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM119877
PNG
(SL809 | US9073941, 502)
Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1OC
Show InChI InChI=1S/C16H19BrN4O5S/c1-21(27(23,24)14-6-10(17)8-19-16(14)18)9-15(22)20-11-4-5-12(25-2)13(7-11)26-3/h4-8H,9H2,1-3H3,(H2,18,19)(H,20,22)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM119876
PNG
(SL932 | US9073941, 503)
Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1Cl
Show InChI InChI=1S/C15H16BrClN4O4S/c1-21(26(23,24)13-5-9(16)7-19-15(13)18)8-14(22)20-10-3-4-12(25-2)11(17)6-10/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188223
PNG
(US9073941, 504)
Show SMILES CN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(Br)cnc1N
Show InChI InChI=1S/C14H14BrFN4O3S/c1-20(8-13(21)19-11-4-2-10(16)3-5-11)24(22,23)12-6-9(15)7-18-14(12)17/h2-7H,8H2,1H3,(H2,17,18)(H,19,21)
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n/an/a 4.30E+3n/an/an/an/a7.0n/a



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US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM119879
PNG
(SL917 | US9073941, 505)
Show SMILES CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1
Show InChI InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188224
PNG
(US9073941, 506)
Show SMILES CN(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1cc(Br)cnc1N
Show InChI InChI=1S/C16H19BrN4O3S/c1-11-3-5-12(6-4-11)8-19-15(22)10-21(2)25(23,24)14-7-13(17)9-20-16(14)18/h3-7,9H,8,10H2,1-2H3,(H2,18,20)(H,19,22)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188225
PNG
(US9073941, 507)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H24N4O3S/c1-14(2)21-12-17(19-13-21)26(24,25)22-10-8-15(9-11-22)18(23)20-16-6-4-3-5-7-16/h3-7,12-15H,8-11H2,1-2H3,(H,20,23)
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n/an/a 2.77E+3n/an/an/an/a7.0n/a



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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188226
PNG
(US9073941, 508)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C19H26N4O3S/c1-14(2)22-12-18(20-13-22)27(25,26)23-9-7-16(8-10-23)19(24)21-17-6-4-5-15(3)11-17/h4-6,11-14,16H,7-10H2,1-3H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188227
PNG
(US9073941, 509)
Show SMILES CC(C)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1
Show InChI InChI=1S/C21H30N4O3S/c1-15(2)17-5-7-19(8-6-17)23-21(26)18-9-11-25(12-10-18)29(27,28)20-13-24(14-22-20)16(3)4/h5-8,13-16,18H,9-12H2,1-4H3,(H,23,26)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188228
PNG
(US9073941, 510)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C20H28N4O3S/c1-14(2)23-12-19(21-13-23)28(26,27)24-9-7-17(8-10-24)20(25)22-18-6-5-15(3)16(4)11-18/h5-6,11-14,17H,7-10H2,1-4H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188229
PNG
(US9073941, 511)
Show SMILES CCc1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)c1
Show InChI InChI=1S/C20H28N4O3S/c1-4-16-6-5-7-18(12-16)22-20(25)17-8-10-24(11-9-17)28(26,27)19-13-23(14-21-19)15(2)3/h5-7,12-15,17H,4,8-11H2,1-3H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188230
PNG
(US9073941, 512)
Show SMILES CCc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1
Show InChI InChI=1S/C20H28N4O3S/c1-4-16-5-7-18(8-6-16)22-20(25)17-9-11-24(12-10-17)28(26,27)19-13-23(14-21-19)15(2)3/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188231
PNG
(US9073941, 513)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H25N5O5S2/c1-13(2)22-11-17(20-12-22)30(27,28)23-9-7-14(8-10-23)18(24)21-15-3-5-16(6-4-15)29(19,25)26/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)(H2,19,25,26)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188232
PNG
(US9073941, 514)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C20H28N4O3S/c1-14(2)23-12-19(21-13-23)28(26,27)24-7-5-17(6-8-24)20(25)22-18-10-15(3)9-16(4)11-18/h9-14,17H,5-8H2,1-4H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188233
PNG
(US9073941, 515)
Show SMILES CSc1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)c1
Show InChI InChI=1S/C19H26N4O3S2/c1-14(2)22-12-18(20-13-22)28(25,26)23-9-7-15(8-10-23)19(24)21-16-5-4-6-17(11-16)27-3/h4-6,11-15H,7-10H2,1-3H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188234
PNG
(US9073941, 516)
Show SMILES COc1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)c1
Show InChI InChI=1S/C19H26N4O4S/c1-14(2)22-12-18(20-13-22)28(25,26)23-9-7-15(8-10-23)19(24)21-16-5-4-6-17(11-16)27-3/h4-6,11-15H,7-10H2,1-3H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188235
PNG
(US9073941, 517)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H23FN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-8-6-14(7-9-23)18(24)21-16-5-3-4-15(19)10-16/h3-5,10-14H,6-9H2,1-2H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188236
PNG
(US9073941, 518)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C18H23ClN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-8-6-14(7-9-23)18(24)21-16-5-3-4-15(19)10-16/h3-5,10-14H,6-9H2,1-2H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188237
PNG
(US9073941, 519)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C18H23BrN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-8-6-14(7-9-23)18(24)21-16-5-3-4-15(19)10-16/h3-5,10-14H,6-9H2,1-2H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188238
PNG
(US9073941, 520)
Show SMILES CCOc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1
Show InChI InChI=1S/C20H28N4O4S/c1-4-28-18-7-5-17(6-8-18)22-20(25)16-9-11-24(12-10-16)29(26,27)19-13-23(14-21-19)15(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,22,25)
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US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188239
PNG
(US9073941, 521)
Show SMILES COc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1
Show InChI InChI=1S/C19H26N4O4S/c1-14(2)22-12-18(20-13-22)28(25,26)23-10-8-15(9-11-23)19(24)21-16-4-6-17(27-3)7-5-16/h4-7,12-15H,8-11H2,1-3H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188240
PNG
(US9073941, 522)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-9-7-14(8-10-23)18(24)21-16-5-3-15(19)4-6-16/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188241
PNG
(US9073941, 523)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C20H26N4O5S/c1-14(2)23-12-19(21-13-23)30(26,27)24-7-5-15(6-8-24)20(25)22-16-3-4-17-18(11-16)29-10-9-28-17/h3-4,11-15H,5-10H2,1-2H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188242
PNG
(US9073941, 524)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C18H23FN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-9-7-14(8-10-23)18(24)21-16-6-4-3-5-15(16)19/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188243
PNG
(US9073941, 525)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1
Show InChI InChI=1S/C21H28N4O5S/c1-4-30-21(27)17-5-7-18(8-6-17)23-20(26)16-9-11-25(12-10-16)31(28,29)19-13-24(14-22-19)15(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,23,26)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188244
PNG
(US9073941, 526)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(c1)N(C)C
Show InChI InChI=1S/C21H31N5O3S/c1-15(2)25-13-20(22-14-25)30(28,29)26-10-8-17(9-11-26)21(27)23-18-7-6-16(3)19(12-18)24(4)5/h6-7,12-15,17H,8-11H2,1-5H3,(H,23,27)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188245
PNG
(US9073941, 527)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H22ClFN4O3S/c1-12(2)23-10-17(21-11-23)28(26,27)24-7-5-13(6-8-24)18(25)22-14-3-4-16(20)15(19)9-14/h3-4,9-13H,5-8H2,1-2H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188246
PNG
(US9073941, 528)
Show SMILES COc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1OC
Show InChI InChI=1S/C20H28N4O5S/c1-14(2)23-12-19(21-13-23)30(26,27)24-9-7-15(8-10-24)20(25)22-16-5-6-17(28-3)18(11-16)29-4/h5-6,11-15H,7-10H2,1-4H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188250
PNG
(US9073941, 532)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(F)c1
Show InChI InChI=1S/C19H25FN4O3S/c1-13(2)23-11-18(21-12-23)28(26,27)24-8-6-15(7-9-24)19(25)22-16-5-4-14(3)17(20)10-16/h4-5,10-13,15H,6-9H2,1-3H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188251
PNG
(US9073941, 533)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H25ClN4O3S/c1-13(2)23-11-18(21-12-23)28(26,27)24-8-6-15(7-9-24)19(25)22-16-5-4-14(3)17(20)10-16/h4-5,10-13,15H,6-9H2,1-3H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188252
PNG
(US9073941, 534)
Show SMILES COc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1Cl
Show InChI InChI=1S/C19H25ClN4O4S/c1-13(2)23-11-18(21-12-23)29(26,27)24-8-6-14(7-9-24)19(25)22-15-4-5-17(28-3)16(20)10-15/h4-5,10-14H,6-9H2,1-3H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188253
PNG
(US9073941, 535)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)-c1ccno1
Show InChI InChI=1S/C21H25N5O4S/c1-15(2)25-13-20(22-14-25)31(28,29)26-10-7-16(8-11-26)21(27)24-18-5-3-4-17(12-18)19-6-9-23-30-19/h3-6,9,12-16H,7-8,10-11H2,1-2H3,(H,24,27)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188254
PNG
(US9073941, 536)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H26N4O3S/c1-15(2)22-13-18(21-14-22)27(25,26)23-10-8-17(9-11-23)19(24)20-12-16-6-4-3-5-7-16/h3-7,13-15,17H,8-12H2,1-2H3,(H,20,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188255
PNG
(US9073941, 537)
Show SMILES COc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)c(OC)c1
Show InChI InChI=1S/C20H28N4O5S/c1-14(2)23-12-19(21-13-23)30(26,27)24-9-7-15(8-10-24)20(25)22-17-6-5-16(28-3)11-18(17)29-4/h5-6,11-15H,7-10H2,1-4H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188256
PNG
(US9073941, 538)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Br)cc1F
Show InChI InChI=1S/C18H22BrFN4O3S/c1-12(2)23-10-17(21-11-23)28(26,27)24-7-5-13(6-8-24)18(25)22-16-4-3-14(19)9-15(16)20/h3-4,9-13H,5-8H2,1-2H3,(H,22,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188257
PNG
(US9073941, 539)
Show SMILES CCc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(CC)cn2)cc1
Show InChI InChI=1S/C19H26N4O3S/c1-3-15-5-7-17(8-6-15)21-19(24)16-9-11-23(12-10-16)27(25,26)18-13-22(4-2)14-20-18/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188258
PNG
(US9073941, 540)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccc(C)c1
Show InChI InChI=1S/C20H28N4O3S/c1-15(2)23-13-19(22-14-23)28(26,27)24-9-7-18(8-10-24)20(25)21-12-17-6-4-5-16(3)11-17/h4-6,11,13-15,18H,7-10,12H2,1-3H3,(H,21,25)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188259
PNG
(US9073941, 541)
Show SMILES CCn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C18H24N4O4S/c1-3-21-12-17(19-13-21)27(24,25)22-10-8-14(9-11-22)18(23)20-15-4-6-16(26-2)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,23)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188260
PNG
(US9073941, 542)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2ccc(C)cc2s1
Show InChI InChI=1S/C20H25N5O3S2/c1-13(2)24-11-18(21-12-24)30(27,28)25-8-6-15(7-9-25)19(26)23-20-22-16-5-4-14(3)10-17(16)29-20/h4-5,10-13,15H,6-9H2,1-3H3,(H,22,23,26)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188261
PNG
(US9073941, 543)
Show SMILES CCOc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(CC)cn2)cc1
Show InChI InChI=1S/C19H26N4O4S/c1-3-22-13-18(20-14-22)28(25,26)23-11-9-15(10-12-23)19(24)21-16-5-7-17(8-6-16)27-4-2/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188262
PNG
(US9073941, 544)
Show SMILES CCn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C18H23ClN4O3S/c1-3-22-11-17(20-12-22)27(25,26)23-8-6-14(7-9-23)18(24)21-15-5-4-13(2)16(19)10-15/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,21,24)
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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188263
PNG
(US9073941, 545)
Show SMILES CCn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C19H24N4O5S/c1-2-22-12-18(20-13-22)29(25,26)23-7-5-14(6-8-23)19(24)21-15-3-4-16-17(11-15)28-10-9-27-16/h3-4,11-14H,2,5-10H2,1H3,(H,21,24)
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n/an/a 2.69E+3n/an/an/an/a7.0n/a



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US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188264
PNG
(US9073941, 546)
Show SMILES COc1cc(OC)c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1Cl
Show InChI InChI=1S/C20H27ClN4O5S/c1-13(2)24-11-19(22-12-24)31(27,28)25-7-5-14(6-8-25)20(26)23-16-9-15(21)17(29-3)10-18(16)30-4/h9-14H,5-8H2,1-4H3,(H,23,26)
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n/an/a 2.85E+3n/an/an/an/a7.0n/a



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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188265
PNG
(US9073941, 547)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C21H30N4O3S/c1-17(2)24-15-20(23-16-24)29(27,28)25-13-10-19(11-14-25)21(26)22-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,15-17,19H,6,9-14H2,1-2H3,(H,22,26)
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n/an/a 2.67E+3n/an/an/an/a7.0n/a



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Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188266
PNG
(US9073941, 548)
Show SMILES CCn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(OC)c(Cl)c1
Show InChI InChI=1S/C18H23ClN4O4S/c1-3-22-11-17(20-12-22)28(25,26)23-8-6-13(7-9-23)18(24)21-14-4-5-16(27-2)15(19)10-14/h4-5,10-13H,3,6-9H2,1-2H3,(H,21,24)
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n/an/a 2.35E+3n/an/an/an/a7.0n/a



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US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188267
PNG
(US9073941, 549)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
Show InChI InChI=1S/C17H24N4O3S2/c1-13(2)20-11-16(19-12-20)26(23,24)21-7-5-14(6-8-21)17(22)18-10-15-4-3-9-25-15/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,18,22)
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US Patent
n/an/a 3.42E+3n/an/an/an/a7.0n/a



Academia Sinica

US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188268
PNG
(US9073941, 550)
Show SMILES CCOc1ccc2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cn(cn3)C(C)C)sc2c1
Show InChI InChI=1S/C21H27N5O4S2/c1-4-30-16-5-6-17-18(11-16)31-21(23-17)24-20(27)15-7-9-26(10-8-15)32(28,29)19-12-25(13-22-19)14(2)3/h5-6,11-15H,4,7-10H2,1-3H3,(H,23,24,27)
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n/an/a 2.13E+3n/an/an/an/a7.0n/a



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US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188269
PNG
(US9073941, 551)
Show SMILES COc1ccc2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cn(cn3)C(C)C)sc2c1
Show InChI InChI=1S/C20H25N5O4S2/c1-13(2)24-11-18(21-12-24)31(27,28)25-8-6-14(7-9-25)19(26)23-20-22-16-5-4-15(29-3)10-17(16)30-20/h4-5,10-14H,6-9H2,1-3H3,(H,22,23,26)
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n/an/a 2.28E+3n/an/an/an/a7.0n/a



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US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188270
PNG
(US9073941, 552)
Show SMILES COc1cc(Cl)c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)c(OC)c1
Show InChI InChI=1S/C20H27ClN4O5S/c1-13(2)24-11-18(22-12-24)31(27,28)25-7-5-14(6-8-25)20(26)23-19-16(21)9-15(29-3)10-17(19)30-4/h9-14H,5-8H2,1-4H3,(H,23,26)
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n/an/a 2.87E+3n/an/an/an/a7.0n/a



Academia Sinica

US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair
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