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Found 33 hits Enz. Inhib. hit(s) with Target = 'Isocitrate lyase' AND taxid = 83332   
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
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351206
PNG
(CHEMBL1818383)
Show SMILES COc1c2n(cc(C(O)=O)c([O-])c2cc(F)c1=[N+]1C(C)CN(CC1C)C(=O)CC[N+]([O-])=O)C1CC1
Show InChI InChI=1S/C23H27FN4O7/c1-12-9-25(18(29)6-7-27(33)34)10-13(2)28(12)20-17(24)8-15-19(22(20)35-3)26(14-4-5-14)11-16(21(15)30)23(31)32/h8,11-14H,4-7,9-10H2,1-3H3,(H,31,32)
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n/an/a 100n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351204
PNG
(CHEMBL1818381)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(c(F)cc2c1[O-])=[N+]1CCN(CC1)C(=O)CC[N+]([O-])=O
Show InChI InChI=1S/C20H21FN4O6/c21-15-9-13-16(24(12-1-2-12)11-14(19(13)27)20(28)29)10-17(15)22-5-7-23(8-6-22)18(26)3-4-25(30)31/h9-12H,1-8H2,(H,28,29)
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n/an/a 120n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351203
PNG
(CHEMBL1818380)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)CC[N+]([O-])=O
Show InChI InChI=1S/C19H21FN4O6/c1-2-21-11-13(19(27)28)18(26)12-9-14(20)16(10-15(12)21)22-5-7-23(8-6-22)17(25)3-4-24(29)30/h9-11H,2-8H2,1H3,(H,27,28)
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n/an/a 200n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351205
PNG
(CHEMBL1818382)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN(CC3C)C(=O)CC[N+]([O-])=O)c(F)c12
Show InChI InChI=1S/C20H22F2N4O6/c1-3-23-10-13(20(29)30)19(28)12-8-14(21)18(16(22)17(12)23)25-7-6-24(9-11(25)2)15(27)4-5-26(31)32/h8,10-11H,3-7,9H2,1-2H3,(H,29,30)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351200
PNG
(CHEMBL1818376)
Show SMILES CCN1CCN(CC1)C(=O)CC[N+]([O-])=O
Show InChI InChI=1S/C9H17N3O3/c1-2-10-5-7-11(8-6-10)9(13)3-4-12(14)15/h2-8H2,1H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351198
PNG
(CHEMBL1818286)
Show SMILES [O-][N+](=O)CCC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C9H9ClN2O3/c10-7-1-3-8(4-2-7)11-9(13)5-6-12(14)15/h1-4H,5-6H2,(H,11,13)
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n/an/a 2.13E+4n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351202
PNG
(CHEMBL1818378)
Show SMILES [O-][N+](=O)CCC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H16F3N3O3/c15-14(16,17)11-2-1-3-12(10-11)18-6-8-19(9-7-18)13(21)4-5-20(22)23/h1-3,10H,4-9H2
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n/an/a 3.02E+4n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351207
PNG
(CHEMBL1818287)
Show SMILES [O-][N+](=O)CCC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C9H9BrN2O3/c10-7-1-3-8(4-2-7)11-9(13)5-6-12(14)15/h1-4H,5-6H2,(H,11,13)
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n/an/a 3.25E+4n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351199
PNG
(CHEMBL1818370)
Show SMILES Cc1cc(NC(=O)CC[N+]([O-])=O)ccc1Br
Show InChI InChI=1S/C10H11BrN2O3/c1-7-6-8(2-3-9(7)11)12-10(14)4-5-13(15)16/h2-3,6H,4-5H2,1H3,(H,12,14)
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n/an/a 3.68E+4n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50351201
PNG
(CHEMBL1818377)
Show SMILES [O-][N+](=O)CCC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C13H17N3O3/c17-13(6-7-16(18)19)15-10-8-14(9-11-15)12-4-2-1-3-5-12/h1-5H,6-11H2
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n/an/a 4.12E+4n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50274515
PNG
(3-nitropropanoic acid | 3-nitropropionic acid | Bo...)
Show SMILES [O-]C(=O)CC[N+]([O-])=O
Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1
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n/an/a 5.07E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM200235
PNG
(Rifampicin | cid_5381226)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C
Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
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n/an/a>7.59E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...


J Enzyme Inhib Med Chem 25: 765-72 (2010)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM233192
PNG
(1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl)-4-[(...)
Show SMILES COc1c(N2CCN(C(C)C2)C(=O)C2NC(=O)NC(=O)C2[N+]([O-])=O)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1/C24H25FN6O9/c1-10-8-28(5-6-29(10)22(34)15-18(31(38)39)21(33)27-24(37)26-15)17-14(25)7-12-16(20(17)40-2)30(11-3-4-11)9-13(19(12)32)23(35)36/h7,9-11,15,18H,3-6,8H2,1-2H3,(H,35,36)(H2,26,27,33,37)
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n/an/a>1.12E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...


J Enzyme Inhib Med Chem 25: 765-72 (2010)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50274515
PNG
(3-nitropropanoic acid | 3-nitropropionic acid | Bo...)
Show SMILES [O-]C(=O)CC[N+]([O-])=O
Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1
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n/an/a 1.16E+5n/an/an/an/an/an/a



Institute of Technology and Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis isocitrate lyase


Bioorg Med Chem Lett 21: 5149-54 (2011)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM233191
PNG
(7-(3,5-Dimethyl)-4-[(5-nitro-2,6-dioxohexahydro-4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CC(C)N(C(C)C3)C(=O)C3NC(=O)NC(=O)C3[N+]([O-])=O)c(F)c12
Show InChI InChI=1/C23H24F2N6O8/c1-4-28-8-12(22(35)36)19(32)11-5-13(24)17(14(25)16(11)28)29-6-9(2)30(10(3)7-29)21(34)15-18(31(38)39)20(33)27-23(37)26-15/h5,8-10,15,18H,4,6-7H2,1-3H3,(H,35,36)(H2,26,27,33,37)
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n/an/a<1.17E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...


J Enzyme Inhib Med Chem 25: 765-72 (2010)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM233190
PNG
(1-Cyclopropyl-6-fluoro-7-4-[(5-nitro-2,6-dioxohexa...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)C(=O)C3NC(=O)NC(=O)C3[N+]([O-])=O)c(F)cc2c1=O
Show InChI InChI=1/C22H21FN6O8/c23-13-7-11-14(28(10-1-2-10)9-12(18(11)30)21(33)34)8-15(13)26-3-5-27(6-4-26)20(32)16-17(29(36)37)19(31)25-22(35)24-16/h7-10,16-17H,1-6H2,(H,33,34)(H2,24,25,31,35)
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n/an/a>1.21E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...


J Enzyme Inhib Med Chem 25: 765-72 (2010)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM233189
PNG
(1-Ethyl-6-fluoro-7-4-[(5-nitro-2,6-dioxohexahydro-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)C1NC(=O)NC(=O)C1[N+]([O-])=O
Show InChI InChI=1/C21H21FN6O8/c1-2-25-9-11(20(32)33)17(29)10-7-12(22)14(8-13(10)25)26-3-5-27(6-4-26)19(31)15-16(28(35)36)18(30)24-21(34)23-15/h7-9,15-16H,2-6H2,1H3,(H,32,33)(H2,23,24,30,34)
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n/an/a 1.24E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...


J Enzyme Inhib Med Chem 25: 765-72 (2010)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440014
PNG
(CHEMBL2425396)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C38H56N14O11S/c1-64-10-8-25(32(57)48-26(37(62)63)3-2-9-44-38(40)41)47-34(59)28(13-22-15-43-19-46-22)50-35(60)29(16-53)52-36(61)30(17-54)51-33(58)27(11-20-4-6-23(55)7-5-20)49-31(56)24(39)12-21-14-42-18-45-21/h4-7,14-15,18-19,24-30,53-55H,2-3,8-13,16-17,39H2,1H3,(H,42,45)(H,43,46)(H,47,59)(H,48,57)(H,49,56)(H,50,60)(H,51,58)(H,52,61)(H,62,63)(H4,40,41,44)/t24-,25-,26-,27-,28-,29-,30-/m0/s1
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n/an/a 1.26E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440015
PNG
(CHEMBL2425395)
Show SMILES N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C33H53N11O12/c34-17(15-24(35)46)29(52)43-13-3-7-22(43)31(54)42-12-2-6-21(42)28(51)40-19(9-10-25(47)48)27(50)39-18(5-1-11-38-33(36)37)26(49)41-20(16-45)30(53)44-14-4-8-23(44)32(55)56/h17-23,45H,1-16,34H2,(H2,35,46)(H,39,50)(H,40,51)(H,41,49)(H,47,48)(H,55,56)(H4,36,37,38)/t17-,18-,19-,20-,21-,22-,23-/m0/s1
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n/an/a 1.42E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440012
PNG
(CHEMBL2425398)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C38H57N9O11S/c1-20(2)14-26(43-34(53)27(16-23-17-40-19-41-23)44-32(51)25(11-13-59-4)42-36(55)31(39)21(3)49)33(52)46-29(18-48)37(56)47-12-5-6-30(47)35(54)45-28(38(57)58)15-22-7-9-24(50)10-8-22/h7-10,17,19-21,25-31,48-50H,5-6,11-16,18,39H2,1-4H3,(H,40,41)(H,42,55)(H,43,53)(H,44,51)(H,45,54)(H,46,52)(H,57,58)/t21-,25+,26+,27+,28+,29+,30+,31+/m1/s1
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n/an/a 1.56E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440013
PNG
(CHEMBL2425397)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C30H57N13O11/c1-13(2)20(42-24(49)17(7-5-9-36-29(32)33)39-22(47)14(3)38-23(48)16(31)11-44)26(51)43-21(15(4)46)27(52)41-19(12-45)25(50)40-18(28(53)54)8-6-10-37-30(34)35/h13-21,44-46H,5-12,31H2,1-4H3,(H,38,48)(H,39,47)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,53,54)(H4,32,33,36)(H4,34,35,37)/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a 1.66E+5n/an/an/an/an/an/a


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Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440016
PNG
(CHEMBL2425394)
Show SMILES C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(O)=O
Show InChI InChI=1S/C27H47N9O10/c1-14(33-24(42)17(6-3-4-10-28)34-23(41)16(29)8-9-20(30)38)22(40)35-18(13-37)26(44)36-11-5-7-19(36)25(43)31-12-21(39)32-15(2)27(45)46/h14-19,37H,3-13,28-29H2,1-2H3,(H2,30,38)(H,31,43)(H,32,39)(H,33,42)(H,34,41)(H,35,40)(H,45,46)/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 1.72E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM233188
PNG
(N-(5-Bromo-2-pyridinyl)-5-nitro-2,6-dioxohexahydro...)
Show SMILES [O-][N+](=O)C1C(NC(=O)NC1=O)C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1/C10H8BrN5O5/c11-4-1-2-5(12-3-4)13-8(17)6-7(16(20)21)9(18)15-10(19)14-6/h1-3,6-7H,(H,12,13,17)(H2,14,15,18,19)
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n/an/a<1.75E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...


J Enzyme Inhib Med Chem 25: 765-72 (2010)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440010
PNG
(CHEMBL2425400)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C32H55N7O13/c1-15(2)11-19(35-26(45)18(8-9-24(43)44)34-30(49)25(33)17(5)42)27(46)37-21(13-40)28(47)36-20(12-16(3)4)31(50)39-10-6-7-23(39)29(48)38-22(14-41)32(51)52/h15-23,25,40-42H,6-14,33H2,1-5H3,(H,34,49)(H,35,45)(H,36,47)(H,37,46)(H,38,48)(H,43,44)(H,51,52)/t17-,18+,19+,20+,21+,22+,23+,25+/m1/s1
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n/an/a 1.82E+5n/an/an/an/an/an/a


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Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a>1.89E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...


J Enzyme Inhib Med Chem 25: 765-72 (2010)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440011
PNG
(CHEMBL2425399)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C27H47N9O13/c1-11(2)6-15(23(44)31-12(3)21(42)32-14(27(48)49)4-5-19(29)40)33-24(45)17(9-38)35-26(47)18(10-39)36-25(46)16(8-37)34-22(43)13(28)7-20(30)41/h11-18,37-39H,4-10,28H2,1-3H3,(H2,29,40)(H2,30,41)(H,31,44)(H,32,42)(H,33,45)(H,34,43)(H,35,47)(H,36,46)(H,48,49)/t12-,13-,14-,15-,16-,17-,18-/m0/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a


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Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440005
PNG
(CHEMBL2425405)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H63N11O9S/c1-8-22(6)31(49-32(51)25(39)13-23-15-40-18-42-23)37(56)48-30(17-50)36(55)46-28(14-24-16-41-19-43-24)35(54)45-27(11-20(2)3)34(53)44-26(9-10-59-7)33(52)47-29(38(57)58)12-21(4)5/h15-16,18-22,25-31,50H,8-14,17,39H2,1-7H3,(H,40,42)(H,41,43)(H,44,53)(H,45,54)(H,46,55)(H,47,52)(H,48,56)(H,49,51)(H,57,58)/t22-,25-,26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 1.92E+5n/an/an/an/an/an/a


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Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM233187
PNG
(N-(4-Chlorophenyl)-5-nitro-2,6-dioxohexahydro-4-py...)
Show SMILES [O-][N+](=O)C1C(NC(=O)NC1=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1/C11H9ClN4O5/c12-5-1-3-6(4-2-5)13-9(17)7-8(16(20)21)10(18)15-11(19)14-7/h1-4,7-8H,(H,13,17)(H2,14,15,18,19)
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n/an/a<2.00E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...


J Enzyme Inhib Med Chem 25: 765-72 (2010)

More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440007
PNG
(CHEMBL2425403)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C36H59N7O10S/c1-18(2)15-25(37)32(48)42-28(17-23-9-11-24(45)12-10-23)34(50)38-20(5)30(46)41-27(16-19(3)4)33(49)39-21(6)31(47)43-29(22(7)44)35(51)40-26(36(52)53)13-14-54-8/h9-12,18-22,25-29,44-45H,13-17,37H2,1-8H3,(H,38,50)(H,39,49)(H,40,51)(H,41,46)(H,42,48)(H,43,47)(H,52,53)/t20-,21-,22+,25-,26-,27-,28-,29-/m0/s1
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n/an/a 2.04E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440008
PNG
(CHEMBL2425402)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C35H63N7O9/c1-18(2)13-23(36)30(45)41-29(22(9)43)34(49)39-24(14-19(3)4)31(46)37-17-28(44)42-12-10-11-27(42)33(48)38-25(15-20(5)6)32(47)40-26(35(50)51)16-21(7)8/h18-27,29,43H,10-17,36H2,1-9H3,(H,37,46)(H,38,48)(H,39,49)(H,40,47)(H,41,45)(H,50,51)/t22-,23+,24+,25+,26+,27+,29+/m1/s1
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n/an/a 2.08E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440009
PNG
(CHEMBL2425401)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C34H58N10O11/c1-15(2)10-21(35)28(48)43-27(19(7)46)33(53)40-22(8-9-25(36)47)29(49)42-24(12-20-13-37-14-38-20)30(50)41-23(11-16(3)4)31(51)44-26(18(6)45)32(52)39-17(5)34(54)55/h13-19,21-24,26-27,45-46H,8-12,35H2,1-7H3,(H2,36,47)(H,37,38)(H,39,52)(H,40,53)(H,41,50)(H,42,49)(H,43,48)(H,44,51)(H,54,55)/t17-,18+,19+,21-,22-,23-,24-,26-,27-/m0/s1
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n/an/a 2.14E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50440006
PNG
(CHEMBL2425404)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C31H58N8O11/c1-14(2)12-20(36-28(46)21(13-40)37-30(48)23(17(6)41)38-29(47)22(33)15(3)4)27(45)35-19(10-8-9-11-32)26(44)34-16(5)25(43)39-24(18(7)42)31(49)50/h14-24,40-42H,8-13,32-33H2,1-7H3,(H,34,44)(H,35,45)(H,36,46)(H,37,48)(H,38,47)(H,39,43)(H,49,50)/t16-,17+,18+,19-,20-,21-,22-,23-,24-/m0/s1
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n/an/a 2.28E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase (ICL)


(Mycobacterium tuberculosis)
BDBM50336507
PNG
(4-pyridinecarbohydrazide(Isoniazid) | CHEMBL64 | D...)
Show SMILES NNC(=O)c1ccncc1
Show InChI InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
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n/an/a>4.56E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...


J Enzyme Inhib Med Chem 25: 765-72 (2010)

More data for this
Ligand-Target Pair