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Found 46 hits Enz. Inhib. hit(s) with Target = 'L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase'   
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
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50339905
PNG
(5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...)
Show SMILES N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347255
PNG
(CHEMBL1796109)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C31H34ClN3O3S/c1-2-25-11-5-6-17-34(25)18-8-16-33-30(36)23-14-15-29-27(20-23)35(21-22-9-7-10-24(32)19-22)31(37)26-12-3-4-13-28(26)39(29)38/h3-4,7,9-10,12-15,19-20,25H,2,5-6,8,11,16-18,21H2,1H3,(H,33,36)
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347248
PNG
(CHEMBL1795953)
Show SMILES CN(CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O)C1CCCCC1
Show InChI InChI=1S/C31H34ClN3O3S/c1-34(25-11-3-2-4-12-25)18-8-17-33-30(36)23-15-16-29-27(20-23)35(21-22-9-7-10-24(32)19-22)31(37)26-13-5-6-14-28(26)39(29)38/h5-7,9-10,13-16,19-20,25H,2-4,8,11-12,17-18,21H2,1H3,(H,33,36)
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n/an/a 8.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347264
PNG
(CHEMBL1796114)
Show SMILES CCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C30H34ClN3O3S/c1-3-16-33(17-4-2)18-8-15-32-29(35)23-13-14-28-26(20-23)34(21-22-9-7-10-24(31)19-22)30(36)25-11-5-6-12-27(25)38(28)37/h5-7,9-14,19-20H,3-4,8,15-18,21H2,1-2H3,(H,32,35)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347263
PNG
(CHEMBL1796113)
Show SMILES Clc1cccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCN2CCCCCC2)c1
Show InChI InChI=1S/C29H30ClN3O3S/c30-23-9-7-8-21(18-23)20-33-25-19-22(28(34)31-14-17-32-15-5-1-2-6-16-32)12-13-27(25)37(36)26-11-4-3-10-24(26)29(33)35/h3-4,7-13,18-19H,1-2,5-6,14-17,20H2,(H,31,34)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347260
PNG
(CHEMBL1706296)
Show SMILES Clc1cccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C28H28ClN3O3S/c29-22-8-5-7-20(17-22)19-32-24-18-21(27(33)30-13-6-16-31-14-3-4-15-31)11-12-26(24)36(35)25-10-2-1-9-23(25)28(32)34/h1-2,5,7-12,17-18H,3-4,6,13-16,19H2,(H,30,33)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347250
PNG
(CHEMBL1795352)
Show SMILES CCCCN(C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C29H32ClN3O3S/c1-3-4-16-32(2)17-8-15-31-28(34)22-13-14-27-25(19-22)33(20-21-9-7-10-23(30)18-21)29(35)24-11-5-6-12-26(24)37(27)36/h5-7,9-14,18-19H,3-4,8,15-17,20H2,1-2H3,(H,31,34)
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347261
PNG
(CHEMBL1796111)
Show SMILES Clc1cccc(CN2c3cc(ccc3Sc3ccccc3C2=O)C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C28H28ClN3O2S/c29-22-8-5-7-20(17-22)19-32-24-18-21(27(33)30-13-6-16-31-14-3-4-15-31)11-12-26(24)35-25-10-2-1-9-23(25)28(32)34/h1-2,5,7-12,17-18H,3-4,6,13-16,19H2,(H,30,33)
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347262
PNG
(CHEMBL1796112)
Show SMILES CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3=O)C1
Show InChI InChI=1S/C30H32ClN3O3S/c1-21-7-5-15-33(19-21)16-6-14-32-29(35)23-12-13-28-26(18-23)34(20-22-8-4-9-24(31)17-22)30(36)25-10-2-3-11-27(25)38(28)37/h2-4,8-13,17-18,21H,5-7,14-16,19-20H2,1H3,(H,32,35)
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347276
PNG
(CHEMBL1796126)
Show SMILES Clc1ccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCCCN2CCCC2)cc1
Show InChI InChI=1S/C28H28ClN3O4S/c29-22-11-8-20(9-12-22)19-32-24-18-21(27(33)30-14-5-17-31-15-3-4-16-31)10-13-26(24)37(35,36)25-7-2-1-6-23(25)28(32)34/h1-2,6-13,18H,3-5,14-17,19H2,(H,30,33)
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347249
PNG
(CHEMBL1795954)
Show SMILES CN(CCCNC(=O)c1ccc2Sc3ccccc3C(=O)N(Cc3cccc(Cl)c3)c2c1)C1CCCCC1
Show InChI InChI=1S/C31H34ClN3O2S/c1-34(25-11-3-2-4-12-25)18-8-17-33-30(36)23-15-16-29-27(20-23)35(21-22-9-7-10-24(32)19-22)31(37)26-13-5-6-14-28(26)38-29/h5-7,9-10,13-16,19-20,25H,2-4,8,11-12,17-18,21H2,1H3,(H,33,36)
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n/an/a 2.80E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347268
PNG
(CHEMBL1796118)
Show SMILES CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2=O)C1CCCCC1
Show InChI InChI=1S/C31H35N3O3S/c1-33(25-13-6-3-7-14-25)20-10-19-32-30(35)24-17-18-29-27(21-24)34(22-23-11-4-2-5-12-23)31(36)26-15-8-9-16-28(26)38(29)37/h2,4-5,8-9,11-12,15-18,21,25H,3,6-7,10,13-14,19-20,22H2,1H3,(H,32,35)
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347265
PNG
(CHEMBL1796115)
Show SMILES Clc1cccc(CN2c3cc(ccc3Sc3ccccc3C2=O)C(=O)NCCCN2CCCCC2)c1
Show InChI InChI=1S/C29H30ClN3O2S/c30-23-9-6-8-21(18-23)20-33-25-19-22(28(34)31-14-7-17-32-15-4-1-5-16-32)12-13-27(25)36-26-11-3-2-10-24(26)29(33)35/h2-3,6,8-13,18-19H,1,4-5,7,14-17,20H2,(H,31,34)
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n/an/a 3.20E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347275
PNG
(CHEMBL1796125)
Show SMILES CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1
Show InChI InChI=1S/C31H34ClN3O4S/c1-34(25-8-3-2-4-9-25)19-7-18-33-30(36)23-14-17-29-27(20-23)35(21-22-12-15-24(32)16-13-22)31(37)26-10-5-6-11-28(26)40(29,38)39/h5-6,10-17,20,25H,2-4,7-9,18-19,21H2,1H3,(H,33,36)
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n/an/a 3.30E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347274
PNG
(CHEMBL1796124)
Show SMILES CN(C)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C26H26ClN3O3S/c1-29(2)15-5-14-28-25(31)19-10-13-24-22(16-19)30(17-18-8-11-20(27)12-9-18)26(32)21-6-3-4-7-23(21)34(24)33/h3-4,6-13,16H,5,14-15,17H2,1-2H3,(H,28,31)
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n/an/a 3.40E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347257
PNG
(CHEMBL1448727)
Show SMILES Clc1cccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)c1
Show InChI InChI=1S/C28H28ClN3O4S/c29-22-6-3-5-20(17-22)19-32-24-18-21(27(33)30-11-4-12-31-13-15-36-16-14-31)9-10-26(24)37(35)25-8-2-1-7-23(25)28(32)34/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,33)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347253
PNG
(CHEMBL1796107)
Show SMILES CC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3=O)C1
Show InChI InChI=1S/C31H34ClN3O3S/c1-21-15-22(2)19-34(18-21)14-6-13-33-30(36)24-11-12-29-27(17-24)35(20-23-7-5-8-25(32)16-23)31(37)26-9-3-4-10-28(26)39(29)38/h3-5,7-12,16-17,21-22H,6,13-15,18-20H2,1-2H3,(H,33,36)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347269
PNG
(CHEMBL1796119)
Show SMILES CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1
Show InChI InChI=1S/C31H35N3O4S/c1-33(25-13-6-3-7-14-25)20-10-19-32-30(35)24-17-18-29-27(21-24)34(22-23-11-4-2-5-12-23)31(36)26-15-8-9-16-28(26)39(29,37)38/h2,4-5,8-9,11-12,15-18,21,25H,3,6-7,10,13-14,19-20,22H2,1H3,(H,32,35)
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347277
PNG
(CHEMBL1300146)
Show SMILES CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3=O)C1
Show InChI InChI=1S/C30H32FN3O3S/c1-21-6-4-16-33(19-21)17-5-15-32-29(35)23-11-14-28-26(18-23)34(20-22-9-12-24(31)13-10-22)30(36)25-7-2-3-8-27(25)38(28)37/h2-3,7-14,18,21H,4-6,15-17,19-20H2,1H3,(H,32,35)
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n/an/a 7.10E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347258
PNG
(CHEMBL1732897)
Show SMILES Clc1cccc(CN2c3cc(ccc3Sc3ccccc3C2=O)C(=O)NCCCN2CCOCC2)c1
Show InChI InChI=1S/C28H28ClN3O3S/c29-22-6-3-5-20(17-22)19-32-24-18-21(27(33)30-11-4-12-31-13-15-35-16-14-31)9-10-26(24)36-25-8-2-1-7-23(25)28(32)34/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,33)
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n/an/a 8.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347280
PNG
(CHEMBL1300373)
Show SMILES CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)C1
Show InChI InChI=1S/C30H32FN3O4S/c1-21-8-6-16-33(19-21)17-7-15-32-29(35)22-13-14-28-26(18-22)34(20-23-9-2-4-11-25(23)31)30(36)24-10-3-5-12-27(24)39(28,37)38/h2-5,9-14,18,21H,6-8,15-17,19-20H2,1H3,(H,32,35)
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n/an/a 8.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347256
PNG
(CHEMBL1524507)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C31H34ClN3O4S/c1-2-25-11-5-6-17-34(25)18-8-16-33-30(36)23-14-15-29-27(20-23)35(21-22-9-7-10-24(32)19-22)31(37)26-12-3-4-13-28(26)40(29,38)39/h3-4,7,9-10,12-15,19-20,25H,2,5-6,8,11,16-18,21H2,1H3,(H,33,36)
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n/an/a 1.10E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50339907
PNG
(((S)-2-amino-3-carboxypropanoyl)(((2R,3S,4R,5R)-5-...)
Show SMILES N[C@@H](CC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H19N7O9S/c15-5(1-7(22)23)13(26)20-31(27,28)29-2-6-9(24)10(25)14(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,14,24-25H,1-2,15H2,(H,20,26)(H,22,23)(H2,16,17,18)/t5-,6+,9+,10+,14+/m0/s1
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n/an/a 1.20E+6n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347284
PNG
(CHEMBL1796132)
Show SMILES Cc1ccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCCCN2CCCC2)c(C)c1
Show InChI InChI=1S/C30H33N3O4S/c1-21-10-11-24(22(2)18-21)20-33-26-19-23(29(34)31-14-7-17-32-15-5-6-16-32)12-13-28(26)38(36,37)27-9-4-3-8-25(27)30(33)35/h3-4,8-13,18-19H,5-7,14-17,20H2,1-2H3,(H,31,34)
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n/an/a 1.40E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347270
PNG
(CHEMBL1796120)
Show SMILES CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1
Show InChI InChI=1S/C30H33N3O4S/c1-22-9-7-17-32(20-22)18-8-16-31-29(34)24-14-15-28-26(19-24)33(21-23-10-3-2-4-11-23)30(35)25-12-5-6-13-27(25)38(28,36)37/h2-6,10-15,19,22H,7-9,16-18,20-21H2,1H3,(H,31,34)
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n/an/a 1.70E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347252
PNG
(CHEMBL1795957)
Show SMILES CCCCN(C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C29H32ClN3O4S/c1-3-4-16-32(2)17-8-15-31-28(34)22-13-14-27-25(19-22)33(20-21-9-7-10-23(30)18-21)29(35)24-11-5-6-12-26(24)38(27,36)37/h5-7,9-14,18-19H,3-4,8,15-17,20H2,1-2H3,(H,31,34)
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n/an/a 1.70E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347282
PNG
(CHEMBL1796130)
Show SMILES CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1C)C(=O)c1ccccc1S2=O)C1CCCCC1
Show InChI InChI=1S/C33H39N3O3S/c1-23-14-15-26(24(2)20-23)22-36-29-21-25(32(37)34-18-9-19-35(3)27-10-5-4-6-11-27)16-17-31(29)40(39)30-13-8-7-12-28(30)33(36)38/h7-8,12-17,20-21,27H,4-6,9-11,18-19,22H2,1-3H3,(H,34,37)
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n/an/a 2.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50129555
PNG
((1R,2R)-2-((4E,6Z)-(2S,8R,9S,11R,13S,15S,16S)-7-cy...)
Show SMILES C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N
Show InChI InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1
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n/an/a>2.00E+6n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347254
PNG
(CHEMBL1796108)
Show SMILES CC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1
Show InChI InChI=1S/C31H34ClN3O4S/c1-21-15-22(2)19-34(18-21)14-6-13-33-30(36)24-11-12-29-27(17-24)35(20-23-7-5-8-25(32)16-23)31(37)26-9-3-4-10-28(26)40(29,38)39/h3-5,7-12,16-17,21-22H,6,13-15,18-20H2,1-2H3,(H,33,36)
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n/an/a 2.30E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347267
PNG
(CHEMBL1796117)
Show SMILES Clc1cccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCC2CCCN2)c1
Show InChI InChI=1S/C26H24ClN3O4S/c27-19-6-3-5-17(13-19)16-30-22-14-18(25(31)29-15-20-7-4-12-28-20)10-11-24(22)35(33,34)23-9-2-1-8-21(23)26(30)32/h1-3,5-6,8-11,13-14,20,28H,4,7,12,15-16H2,(H,29,31)
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n/an/a 2.50E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50269998
PNG
((S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochr...)
Show SMILES C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C([O-])=O)c(O)c2C(=O)O1
Show InChI InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/p-1/t10-,15+/m1/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347266
PNG
(CHEMBL1796116)
Show SMILES CN(CCc1ccccc1)C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C30H25ClN2O4S/c1-32(17-16-21-8-3-2-4-9-21)29(34)23-14-15-28-26(19-23)33(20-22-10-7-11-24(31)18-22)30(35)25-12-5-6-13-27(25)38(28,36)37/h2-15,18-19H,16-17,20H2,1H3
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347259
PNG
(CHEMBL1796110)
Show SMILES Clc1cccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)c1
Show InChI InChI=1S/C28H28ClN3O5S/c29-22-6-3-5-20(17-22)19-32-24-18-21(27(33)30-11-4-12-31-13-15-37-16-14-31)9-10-26(24)38(35,36)25-8-2-1-7-23(25)28(32)34/h1-3,5-10,17-18H,4,11-16,19H2,(H,30,33)
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n/an/a 3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347251
PNG
(CHEMBL1795956)
Show SMILES CCCCSCCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C28H29ClN2O3S2/c1-2-3-15-35-16-7-14-30-27(32)21-12-13-26-24(18-21)31(19-20-8-6-9-22(29)17-20)28(33)23-10-4-5-11-25(23)36(26)34/h4-6,8-13,17-18H,2-3,7,14-16,19H2,1H3,(H,30,32)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347285
PNG
(CHEMBL1796133)
Show SMILES Cc1ccc(CN2c3cc(ccc3S(=O)(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)c(C)c1
Show InChI InChI=1S/C30H33N3O5S/c1-21-8-9-24(22(2)18-21)20-33-26-19-23(29(34)31-12-5-13-32-14-16-38-17-15-32)10-11-28(26)39(36,37)27-7-4-3-6-25(27)30(33)35/h3-4,6-11,18-19H,5,12-17,20H2,1-2H3,(H,31,34)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347283
PNG
(CHEMBL1796131)
Show SMILES CCN(CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1C)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C30H35N3O3S/c1-5-32(6-2)17-9-16-31-29(34)23-14-15-28-26(19-23)33(20-24-13-12-21(3)18-22(24)4)30(35)25-10-7-8-11-27(25)37(28)36/h7-8,10-15,18-19H,5-6,9,16-17,20H2,1-4H3,(H,31,34)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347281
PNG
(CHEMBL1796129)
Show SMILES CC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3=O)C1
Show InChI InChI=1S/C31H34FN3O3S/c1-21-16-22(2)19-34(18-21)15-7-14-33-30(36)23-12-13-29-27(17-23)35(20-24-8-3-5-10-26(24)32)31(37)25-9-4-6-11-28(25)39(29)38/h3-6,8-13,17,21-22H,7,14-16,18-20H2,1-2H3,(H,33,36)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347279
PNG
(CHEMBL1796128)
Show SMILES CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2=O)C1CCCCC1
Show InChI InChI=1S/C31H34FN3O3S/c1-34(25-8-3-2-4-9-25)19-7-18-33-30(36)23-14-17-29-27(20-23)35(21-22-12-15-24(32)16-13-22)31(37)26-10-5-6-11-28(26)39(29)38/h5-6,10-17,20,25H,2-4,7-9,18-19,21H2,1H3,(H,33,36)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347278
PNG
(CHEMBL1796127)
Show SMILES CCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C30H34FN3O3S/c1-3-17-33(18-4-2)19-7-16-32-29(35)23-12-15-28-26(20-23)34(21-22-10-13-24(31)14-11-22)30(36)25-8-5-6-9-27(25)38(28)37/h5-6,8-15,20H,3-4,7,16-19,21H2,1-2H3,(H,32,35)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347272
PNG
(CHEMBL1329194)
Show SMILES CCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C25H33N3O3S/c1-4-15-27(16-5-2)17-9-14-26-24(29)19-12-13-23-21(18-19)28(6-3)25(30)20-10-7-8-11-22(20)32(23)31/h7-8,10-13,18H,4-6,9,14-17H2,1-3H3,(H,26,29)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347273
PNG
(CHEMBL1796123)
Show SMILES CCN1c2cc(ccc2S(=O)c2ccccc2C1=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C23H27N3O4S/c1-2-26-19-16-17(22(27)24-10-5-11-25-12-14-30-15-13-25)8-9-21(19)31(29)20-7-4-3-6-18(20)23(26)28/h3-4,6-9,16H,2,5,10-15H2,1H3,(H,24,27)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50347271
PNG
(CHEMBL1796121)
Show SMILES O=C(NCCCSC1CCCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C30H32N2O3S2/c33-29(31-18-9-19-36-24-12-5-2-6-13-24)23-16-17-28-26(20-23)32(21-22-10-3-1-4-11-22)30(34)25-14-7-8-15-27(25)37(28)35/h1,3-4,7-8,10-11,14-17,20,24H,2,5-6,9,12-13,18-19,21H2,(H,31,33)
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n/an/a>3.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50339908
PNG
(CHEMBL1191824 | [(1R,2S)-2-aminocyclopentane-1-car...)
Show SMILES N[C@H]1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1
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PubMed
n/an/a>4.00E+6n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50339906
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50290686
PNG
(9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-...)
Show SMILES C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC


Citation and Details
More data for this
Ligand-Target Pair
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase


(Mycobacterium tuberculosis)
BDBM50339905
PNG
(5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | 5'-O-[...)
Show SMILES N[C@@H](CS)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
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n/an/an/a 48.5n/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis recombinant MBP-tagged MshC by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair