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Found 152 hits Enz. Inhib. hit(s) with Target = 'Lipoamide Dehydrogenase (Lpd)'   
Target
(Institution)
LigandTarget
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)
BDBM36527
PNG
(1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C13H11N5O2/c1-17-12(19)9-11(15-13(17)20)18(2)16-10(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188289
PNG
(US9073941, 614)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N6O4/c1-17-12(20)9-11(15-13(17)21)18(2)16-10(14-9)7-3-5-8(6-4-7)19(22)23/h3-6H,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188293
PNG
(US9073941, 621)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C16H15N5O4/c1-4-21-13-11(14(22)20(2)16(24)18-13)17-12(19-21)9-5-7-10(8-6-9)15(23)25-3/h5-8H,4H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188292
PNG
(US9073941, 620)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N6O4/c1-3-19-12-10(13(21)18(2)14(22)16-12)15-11(17-19)8-4-6-9(7-5-8)20(23)24/h4-7H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM43224
PNG
(1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5...)
Show SMILES CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM31044
PNG
(1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM50392849
PNG
(CHEMBL2151190 | US9073941, 612)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C14H11N5O4/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)7-3-4-8-9(5-7)23-6-22-8/h3-5H,6H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188288
PNG
(US9073941, 613)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1C
Show InChI InChI=1S/C15H15N5O2/c1-4-20-13-11(14(21)19(3)15(22)17-13)16-12(18-20)10-8-6-5-7-9(10)2/h5-8H,4H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188304
PNG
(US9073941, 905)
Show SMILES O=C1c2nn(nc2-c2ccccc2C1=O)-c1ccccc1
Show InChI InChI=1S/C16H9N3O2/c20-15-12-9-5-4-8-11(12)13-14(16(15)21)18-19(17-13)10-6-2-1-3-7-10/h1-9H
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188290
PNG
(US9073941, 615)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1Cl
Show InChI InChI=1S/C14H12ClN5O2/c1-3-20-12-10(13(21)19(2)14(22)17-12)16-11(18-20)8-6-4-5-7-9(8)15/h4-7H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188291
PNG
(US9073941, 616)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C13H10FN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM50438912
PNG
(CHEMBL1096283 | US9073941, 619)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM50438910
PNG
(CHEMBL1450796 | US9073941, 618)
Show SMILES Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C14H13N5O2/c1-8-4-6-9(7-5-8)11-15-10-12(19(3)17-11)16-14(21)18(2)13(10)20/h4-7H,1-3H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM50420474
PNG
(CHEMBL2086889 | US9073941, 607)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C15H15N5O3/c1-4-20-13-11(14(21)19(2)15(22)17-13)16-12(18-20)9-5-7-10(23-3)8-6-9/h5-8H,4H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188286
PNG
(US9073941, 605)
Show SMILES COc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C14H13N5O3/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)8-4-6-9(22-3)7-5-8/h4-7H,1-3H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM54927
PNG
(4-(benzylamino)-1,2-naphthoquinone | 4-(benzylamin...)
Show SMILES O=C1C=C(NCc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO2/c19-16-10-15(18-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(16)20/h1-10,18H,11H2
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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)

More data for this
Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM119881
PNG
(K906-3584)
Show SMILES CN(CC(=O)Nc1ccc(Br)c(C)c1)S(=O)(=O)c1cc(Br)cnc1N
Show InChI InChI=1S/C15H16Br2N4O3S/c1-9-5-11(3-4-12(9)17)20-14(22)8-21(2)25(23,24)13-6-10(16)7-19-15(13)18/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)
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n/an/a<100n/an/an/an/an/an/a



Weill Cornell Medical College



Assay Description
IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...


Citation and Details
More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM40314
PNG
(3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188285
PNG
(US9073941, 604)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H9Cl2N5O2/c1-19-12(21)9-11(17-13(19)22)20(2)18-10(16-9)6-3-4-7(14)8(15)5-6/h3-5H,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188287
PNG
(US9073941, 608)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccnc1
Show InChI InChI=1S/C13H12N6O2/c1-3-19-11-9(12(20)18(2)13(21)16-11)15-10(17-19)8-5-4-6-14-7-8/h4-7H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM31040
PNG
(1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM32062
PNG
(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H19N5O/c1-2-3-13-27-20(26-22(28)15-9-5-4-6-10-15)16(14-23)19-21(27)25-18-12-8-7-11-17(18)24-19/h4-12H,2-3,13H2,1H3,(H,26,28)
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM22858
PNG
(1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
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n/an/a 640n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM92887
PNG
(Triazaspirobenzyl, 5)
Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)
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n/an/a 650n/an/an/an/an/an/a



Weill Cornell Medical College



Assay Description
Enzymatic assay using Lpd.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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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)

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)

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)

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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188303
PNG
(US9073941, 903)
Show SMILES CC1(C)C2C(=NC1=O)c1ccccc1C(=O)C2=O
Show InChI InChI=1/C14H11NO3/c1-14(2)9-10(15-13(14)18)7-5-3-4-6-8(7)11(16)12(9)17/h3-6,9H,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188309
PNG
(US9073941, 1006)
Show SMILES CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H17N5OS/c1-2-3-10-25-18(24-20(26)16-9-6-11-27-16)13(12-21)17-19(25)23-15-8-5-4-7-14(15)22-17/h4-9,11H,2-3,10H2,1H3,(H,24,26)
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM34697
PNG
(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Show SMILES CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H19N5O/c1-3-14(2)27-20(26-22(28)15-9-5-4-6-10-15)16(13-23)19-21(27)25-18-12-8-7-11-17(18)24-19/h4-12,14H,3H2,1-2H3,(H,26,28)
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188308
PNG
(US9073941, 1005)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H21N5O2S/c1-3-4-13-27-21(26-30(28,29)16-11-9-15(2)10-12-16)17(14-23)20-22(27)25-19-8-6-5-7-18(19)24-20/h5-12,26H,3-4,13H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM92887
PNG
(Triazaspirobenzyl, 5)
Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)
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n/an/a 900n/an/an/an/an/an/a



Weill Cornell Medical College



Assay Description
Enzymatic assay using Lpd.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM50438918
PNG
(CHEMBL2094689 | DNDI1417416 | US9073941, 606)
Show SMILES COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C15H15N5O4/c1-19-14(21)11-13(17-15(19)22)20(2)18-12(16-11)8-5-6-9(23-3)10(7-8)24-4/h5-7H,1-4H3
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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)

More data for this
Ligand-Target Pair
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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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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188307
PNG
(US9073941, 1002)
Show SMILES C=CCn1c(NS(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H15N5O2S/c1-2-12-25-19(24-28(26,27)14-8-4-3-5-9-14)15(13-21)18-20(25)23-17-11-7-6-10-16(17)22-18/h2-11,24H,1,12H2
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188311
PNG
(US9073941, 1008)
Show SMILES COCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C21H16N6O4/c1-31-10-9-26-19(25-21(28)13-5-4-6-14(11-13)27(29)30)15(12-22)18-20(26)24-17-8-3-2-7-16(17)23-18/h2-8,11H,9-10H2,1H3,(H,25,28)
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188306
PNG
(US9073941, 1001)
Show SMILES CCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H16BrN5O2/c1-2-3-10-26-18(25-20(27)15-8-9-16(21)28-15)12(11-22)17-19(26)24-14-7-5-4-6-13(14)23-17/h4-9H,2-3,10H2,1H3,(H,25,27)
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM76505
PNG
(2-(benzenesulfonamido)-1-(3-methoxypropyl)-3-pyrro...)
Show SMILES CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H24N4O5S/c1-3-32-23(28)19-20-22(25-18-13-8-7-12-17(18)24-20)27(14-9-15-31-2)21(19)26-33(29,30)16-10-5-4-6-11-16/h4-8,10-13,26H,3,9,14-15H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188310
PNG
(US9073941, 1007)
Show SMILES CCCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C21H18BrN5O2/c1-2-3-6-11-27-19(26-21(28)16-9-10-17(22)29-16)13(12-23)18-20(27)25-15-8-5-4-7-14(15)24-18/h4-5,7-10H,2-3,6,11H2,1H3,(H,26,28)
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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)

More data for this
Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM92887
PNG
(Triazaspirobenzyl, 5)
Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Weill Cornell Medical College



Assay Description
Enzymatic assay using Lpd.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188315
PNG
(US9073941, 1101)
Show SMILES COCCN(C(=O)c1cccs1)c1nc-2c(CCc3c-2cnn3C)s1
Show InChI InChI=1S/C17H18N4O2S2/c1-20-12-5-6-13-15(11(12)10-18-20)19-17(25-13)21(7-8-23-2)16(22)14-4-3-9-24-14/h3-4,9-10H,5-8H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188298
PNG
(US9073941, 803)
Show SMILES Oc1ccc(NCc2cc3ccccc3nc2O)cc1
Show InChI InChI=1S/C16H14N2O2/c19-14-7-5-13(6-8-14)17-10-12-9-11-3-1-2-4-15(11)18-16(12)20/h1-9,17,19H,10H2,(H,18,20)
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188300
PNG
(US9073941, 805)
Show SMILES Cc1ccc2cc(CNc3ccc(O)cc3)c(O)nc2c1
Show InChI InChI=1S/C17H16N2O2/c1-11-2-3-12-9-13(17(21)19-16(12)8-11)10-18-14-4-6-15(20)7-5-14/h2-9,18,20H,10H2,1H3,(H,19,21)
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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)

More data for this
Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188312
PNG
(US9073941, 1009)
Show SMILES CCC(C)n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1/C20H16BrN5O2/c1-3-11(2)26-18(25-20(27)15-8-9-16(21)28-15)12(10-22)17-19(26)24-14-7-5-4-6-13(14)23-17/h4-9,11H,3H2,1-2H3,(H,25,27)
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US Patent
n/an/a 1.65E+3n/an/an/an/an/an/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)

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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n/an/a 1.69E+3n/an/an/an/an/an/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)

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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US Patent
n/an/a 1.83E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
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