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Compile Data Set for Download or QSAR

Found 45 hits of ic50 for UniProtKB: P9WFV1   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241780
PNG
(CHEMBL4105269)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Cl)cc1OCCOc21 |r|
Show InChI InChI=1S/C10H11BClNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m1./s1
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n/an/a 46n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241754
PNG
(CHEMBL4077894)
Show SMILES Cl.CCOc1ccc(Cl)c2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C10H13BClNO3.ClH/c1-2-15-7-4-3-6(12)9-8(5-13)16-11(14)10(7)9;/h3-4,8,14H,2,5,13H2,1H3;1H/t8-;/m1./s1
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n/an/a 56n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241778
PNG
(CHEMBL4086672)
Show SMILES Cl.COc1ccc(Br)c2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C9H11BBrNO3.ClH/c1-14-6-3-2-5(11)8-7(4-12)15-10(13)9(6)8;/h2-3,7,13H,4,12H2,1H3;1H/t7-;/m1./s1
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n/an/a 74n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241756
PNG
(CHEMBL4075879)
Show SMILES CCOc1ccc(Br)c2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C10H13BBrNO3/c1-2-15-7-4-3-6(12)9-8(5-13)16-11(14)10(7)9/h3-4,8,14H,2,5,13H2,1H3/t8-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241795
PNG
(CHEMBL4104309)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)ccc2OCCF
Show InChI InChI=1S/C10H12BClFNO3.ClH/c12-6-1-2-7(16-4-3-13)10-9(6)8(5-14)17-11(10)15;/h1-2,8,15H,3-5,14H2;1H
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n/an/a 76n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241792
PNG
(CHEMBL4102148)
Show SMILES CCOc1ccc(F)c2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C10H13BFNO3/c1-2-15-7-4-3-6(12)9-8(5-13)16-11(14)10(7)9/h3-4,8,14H,2,5,13H2,1H3/t8-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241791
PNG
(CHEMBL4082544)
Show SMILES OC(=O)C(F)(F)F.NCC1OB(O)c2c1c(Br)cc1OCCOc21
Show InChI InChI=1S/C10H11BBrNO4.C2HF3O2/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;3-2(4,5)1(6)7/h3,7,14H,1-2,4,13H2;(H,6,7)
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n/an/a 92n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241781
PNG
(CHEMBL4066833)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)cc1OCCOc21 |r|
Show InChI InChI=1S/C10H11BBrNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m1./s1
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n/an/a 120n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241782
PNG
(CHEMBL4081207)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)ccc2OCCO |r|
Show InChI InChI=1S/C10H13BBrNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H/t8-;/m1./s1
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n/an/a 120n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241755
PNG
(CHEMBL4081755)
Show SMILES CCOc1cccc2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C10H14BNO3/c1-2-14-8-5-3-4-7-9(6-12)15-11(13)10(7)8/h3-5,9,13H,2,6,12H2,1H3/t9-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241789
PNG
(CHEMBL4084478)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)cc1OCCOc21
Show InChI InChI=1S/C10H11BClNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H
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n/an/a 130n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241757
PNG
(CHEMBL4066786)
Show SMILES Cl.COc1ccc(Cl)c2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C9H11BClNO3.ClH/c1-14-6-3-2-5(11)8-7(4-12)15-10(13)9(6)8;/h2-3,7,13H,4,12H2,1H3;1H/t7-;/m1./s1
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n/an/a 150n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241772
PNG
(CHEMBL4105458)
Show SMILES Cl.NCC1OB(O)c2c1c(Br)ccc2OCCO
Show InChI InChI=1S/C10H13BBrNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H
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n/an/a 150n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241769
PNG
(CHEMBL4090012)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Br)ccc2OCCCO |r|
Show InChI InChI=1S/C11H15BBrNO4.ClH/c13-7-2-3-8(17-5-1-4-15)11-10(7)9(6-14)18-12(11)16;/h2-3,9,15-16H,1,4-6,14H2;1H/t9-;/m1./s1
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n/an/a 160n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241779
PNG
(CHEMBL4082159)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Cl)ccc2OCCO |r|
Show InChI InChI=1S/C10H13BClNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H/t8-;/m1./s1
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Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241760
PNG
(CHEMBL4067937)
Show SMILES Cl.CCCCOc1ccc(Br)c2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C12H17BBrNO3.ClH/c1-2-3-6-17-9-5-4-8(14)11-10(7-15)18-13(16)12(9)11;/h4-5,10,16H,2-3,6-7,15H2,1H3;1H/t10-;/m1./s1
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n/an/a 200n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241779
PNG
(CHEMBL4082159)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Cl)ccc2OCCO |r|
Show InChI InChI=1S/C10H13BClNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H/t8-;/m1./s1
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n/an/a 216n/an/an/an/an/an/a



Russian Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis LeuRS expressed in Escherichia coli Rosetta (DE3) cells

J Med Chem 63: 8917-8955 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02075
BindingDB Entry DOI: 10.7270/Q21Z480D
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241798
PNG
(CHEMBL4084509)
Show SMILES Cl.NCC1OB(O)c2c1c(Br)ccc2OCC(F)F
Show InChI InChI=1S/C10H11BBrF2NO3.ClH/c12-5-1-2-6(17-4-8(13)14)10-9(5)7(3-15)18-11(10)16;/h1-2,7-8,16H,3-4,15H2;1H
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n/an/a 240n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241759
PNG
(CHEMBL4094412)
Show SMILES Cl.CCCOc1ccc(Br)c2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C11H15BBrNO3.ClH/c1-2-5-16-8-4-3-7(13)10-9(6-14)17-12(15)11(8)10;/h3-4,9,15H,2,5-6,14H2,1H3;1H/t9-;/m1./s1
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Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241770
PNG
(CHEMBL4061966)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)ccc2OCCO
Show InChI InChI=1S/C10H13BClNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H
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Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241800
PNG
(CHEMBL4074178)
Show SMILES Cl.NCC1OB(O)c2c3OCOc3cc(Cl)c12
Show InChI InChI=1S/C9H9BClNO4.ClH/c11-4-1-5-9(15-3-14-5)8-7(4)6(2-12)16-10(8)13;/h1,6,13H,2-3,12H2;1H
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n/an/a 250n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241799
PNG
(CHEMBL4096785)
Show SMILES Cl.CCCOc1cc2B(O)OC(CN)c2c(Cl)c1
Show InChI InChI=1S/C11H15BClNO3.ClH/c1-2-3-16-7-4-8-11(9(13)5-7)10(6-14)17-12(8)15;/h4-5,10,15H,2-3,6,14H2,1H3;1H
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n/an/a 250n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241766
PNG
(CHEMBL4087944)
Show SMILES Cl.NCC1OB(O)c2c1c(Br)ccc2OCCF
Show InChI InChI=1S/C10H12BBrFNO3.ClH/c12-6-1-2-7(16-4-3-13)10-9(6)8(5-14)17-11(10)15;/h1-2,8,15H,3-5,14H2;1H
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n/an/a 260n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241775
PNG
(CHEMBL4078760)
Show SMILES Cl.CCOc1cc2B(O)OC(CN)c2c(Br)c1
Show InChI InChI=1S/C10H13BBrNO3.ClH/c1-2-15-6-3-7-10(8(12)4-6)9(5-13)16-11(7)14;/h3-4,9,14H,2,5,13H2,1H3;1H
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n/an/a 260n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241793
PNG
(CHEMBL4066921)
Show SMILES Cl.CCCCOc1ccc(Cl)c2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C12H17BClNO3.ClH/c1-2-3-6-17-9-5-4-8(14)11-10(7-15)18-13(16)12(9)11;/h4-5,10,16H,2-3,6-7,15H2,1H3;1H/t10-;/m1./s1
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n/an/a 270n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241767
PNG
(CHEMBL4076333)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)ccc2OCC(F)F
Show InChI InChI=1S/C10H11BClF2NO3.ClH/c12-5-1-2-6(17-4-8(13)14)10-9(5)7(3-15)18-11(10)16;/h1-2,7-8,16H,3-4,15H2;1H
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n/an/a 290n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241758
PNG
(CHEMBL4104573)
Show SMILES Cl.CCCOc1ccc(Cl)c2[C@@H](CN)OB(O)c12 |r|
Show InChI InChI=1S/C11H15BClNO3.ClH/c1-2-5-16-8-4-3-7(13)10-9(6-14)17-12(15)11(8)10;/h3-4,9,15H,2,5-6,14H2,1H3;1H/t9-;/m1./s1
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n/an/a 310n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241794
PNG
(CHEMBL4075254)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)ccc2OCc1ccccc1
Show InChI InChI=1S/C15H15BClNO3.ClH/c17-11-6-7-12(20-9-10-4-2-1-3-5-10)15-14(11)13(8-18)21-16(15)19;/h1-7,13,19H,8-9,18H2;1H
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n/an/a 320n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241761
PNG
(CHEMBL4089141)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)ccc2Oc1ccccc1
Show InChI InChI=1S/C14H13BClNO3.ClH/c16-10-6-7-11(19-9-4-2-1-3-5-9)14-13(10)12(8-17)20-15(14)18;/h1-7,12,18H,8,17H2;1H
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n/an/a 340n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241783
PNG
(CHEMBL4081973)
Show SMILES Cl.NCC1OB(O)c2cc(OCCCO)cc(Br)c12
Show InChI InChI=1S/C11H15BBrNO4.ClH/c13-9-5-7(17-3-1-2-15)4-8-11(9)10(6-14)18-12(8)16;/h4-5,10,15-16H,1-3,6,14H2;1H
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n/an/a 370n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241776
PNG
(CHEMBL4071439)
Show SMILES Cl.CCCOc1cc2B(O)OC(CN)c2c(Br)c1
Show InChI InChI=1S/C11H15BBrNO3.ClH/c1-2-3-16-7-4-8-11(9(13)5-7)10(6-14)17-12(8)15;/h4-5,10,15H,2-3,6,14H2,1H3;1H
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n/an/a 370n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241777
PNG
(CHEMBL4092224)
Show SMILES Cl.NCC1OB(O)c2cc(OCCCO)cc(Cl)c12
Show InChI InChI=1S/C11H15BClNO4.ClH/c13-9-5-7(17-3-1-2-15)4-8-11(9)10(6-14)18-12(8)16;/h4-5,10,15-16H,1-3,6,14H2;1H
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n/an/a 440n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241763
PNG
(CHEMBL4103410)
Show SMILES Cl.NCC1OB(O)c2c1c(Br)ccc2OCc1ccccc1
Show InChI InChI=1S/C15H15BBrNO3.ClH/c17-11-6-7-12(20-9-10-4-2-1-3-5-10)15-14(11)13(8-18)21-16(15)19;/h1-7,13,19H,8-9,18H2;1H
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n/an/a 440n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241765
PNG
(CHEMBL4080074)
Show SMILES Cl.NCC1OB(O)c2c1c(Br)ccc2OCCc1ccccc1
Show InChI InChI=1S/C16H17BBrNO3.ClH/c18-12-6-7-13(16-15(12)14(10-19)22-17(16)20)21-9-8-11-4-2-1-3-5-11;/h1-7,14,20H,8-10,19H2;1H
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n/an/a 470n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241768
PNG
(CHEMBL4062832)
Show SMILES Cl.NC[C@H]1OB(O)c2c1c(Cl)ccc2OCCCO |r|
Show InChI InChI=1S/C11H15BClNO4.ClH/c13-7-2-3-8(17-5-1-4-15)11-10(7)9(6-14)18-12(11)16;/h2-3,9,15-16H,1,4-6,14H2;1H/t9-;/m1./s1
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n/an/a 470n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241788
PNG
(CHEMBL4062801)
Show SMILES OC(=O)C(F)(F)F.NCC1OB(O)c2c3OCOc3cc(Br)c12
Show InChI InChI=1S/C9H9BBrNO4.C2HF3O2/c11-4-1-5-9(15-3-14-5)8-7(4)6(2-12)16-10(8)13;3-2(4,5)1(6)7/h1,6,13H,2-3,12H2;(H,6,7)
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n/an/a 610n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241774
PNG
(CHEMBL4070589)
Show SMILES Cl.CCOc1cc2B(O)OC(CN)c2c(Cl)c1
Show InChI InChI=1S/C10H13BClNO3.ClH/c1-2-15-6-3-7-10(8(12)4-6)9(5-13)16-11(7)14;/h3-4,9,14H,2,5,13H2,1H3;1H
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n/an/a 630n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241762
PNG
(CHEMBL4087629)
Show SMILES Cl.NCC1OB(O)c2c1c(Br)ccc2Oc1ccc(Br)cc1
Show InChI InChI=1S/C14H12BBr2NO3.ClH/c16-8-1-3-9(4-2-8)20-11-6-5-10(17)13-12(7-18)21-15(19)14(11)13;/h1-6,12,19H,7,18H2;1H
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n/an/a 690n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241764
PNG
(CHEMBL4065024)
Show SMILES Cl.NCC1OB(O)c2c1c(Cl)ccc2OCCc1ccccc1
Show InChI InChI=1S/C16H17BClNO3.ClH/c18-12-6-7-13(16-15(12)14(10-19)22-17(16)20)21-9-8-11-4-2-1-3-5-11;/h1-7,14,20H,8-10,19H2;1H
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n/an/a 720n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241787
PNG
(CHEMBL4100936)
Show SMILES Cl.NCC1OB(O)c2cc(OCCO)cc(Br)c12
Show InChI InChI=1S/C10H13BBrNO4.ClH/c12-8-4-6(16-2-1-14)3-7-10(8)9(5-13)17-11(7)15;/h3-4,9,14-15H,1-2,5,13H2;1H
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n/an/a 890n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241786
PNG
(CHEMBL4099978)
Show SMILES Cl.NCC1OB(O)c2cc(OCCO)cc(Cl)c12
Show InChI InChI=1S/C10H13BClNO4.ClH/c12-8-4-6(16-2-1-14)3-7-10(8)9(5-13)17-11(7)15;/h3-4,9,14-15H,1-2,5,13H2;1H
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n/an/a 1.11E+3n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241801
PNG
(CHEMBL4077080)
Show SMILES Cl.NC[C@@H]1OB(O)c2c1c(Br)cc1OCCOc21 |r|
Show InChI InChI=1S/C10H11BBrNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m0./s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241771
PNG
(CHEMBL4100159)
Show SMILES Cl.NC[C@@H]1OB(O)c2c1c(Cl)ccc2OCCO |r|
Show InChI InChI=1S/C10H13BClNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H/t8-;/m0./s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241790
PNG
(CHEMBL4081018)
Show SMILES Cl.NC[C@@H]1OB(O)c2c1c(Cl)cc1OCCOc21 |r|
Show InChI InChI=1S/C10H11BClNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50241773
PNG
(CHEMBL4097736)
Show SMILES Cl.NC[C@@H]1OB(O)c2c1c(Br)ccc2OCCO |r|
Show InChI InChI=1S/C10H13BBrNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H/t8-;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 1.42E+4n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorp...

J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
BindingDB Entry DOI: 10.7270/Q2XD13TH
More data for this
Ligand-Target Pair