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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'crouch' and Initial = 's'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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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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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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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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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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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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
Mitogen-activated protein kinase 15


(Homo sapiens (Human))		BDBM50548060
PNG
(CHEMBL4762609)
Show SMILES Fc1ccc(CC(=O)N2CCC(CC2)Nc2ncc3c(n[nH]c3n2)N2CCOCC2)cc1F
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TBA

Assay Description
Inhibition of human ERK8 (2 to 544 residues) incubated for 5 mins in presence of [gamma33P]ATP by scintillation counting analysis

Citation and Details

Article DOI: 10.1039/d0md00203h
BindingDB Entry DOI: 10.7270/Q2QJ7MWD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50384600
PNG
(CHEMBL2036792 | US9744172, Compound UNC00000563A)
Show SMILES CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |(53.41,-28.01,;54.75,-28.78,;56.08,-28.01,;56.08,-26.46,;57.41,-25.69,;58.74,-26.46,;60.22,-25.98,;61.13,-27.23,;60.22,-28.49,;60.7,-29.95,;59.67,-31.09,;58.16,-30.76,;57.13,-31.9,;57.6,-33.37,;56.56,-34.51,;59.11,-33.69,;60.14,-32.55,;58.75,-28.01,;57.41,-28.78,;60.69,-24.51,;62.2,-24.2,;62.68,-22.74,;61.65,-21.59,;60.13,-21.92,;59.67,-23.38,;62.12,-20.13,;63.62,-19.81,;64.1,-18.35,;63.07,-17.2,;61.56,-17.52,;61.08,-18.99,)|
Show InChI InChI=1S/C23H32N8/c1-25-23-27-14-20-21(17-4-8-19(9-5-17)30-12-10-26-11-13-30)29-31(22(20)28-23)15-16-2-6-18(24)7-3-16/h4-5,8-9,14,16,18,26H,2-3,6-7,10-13,15,24H2,1H3,(H,25,27,28)
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n/an/a 114n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)

J Med Chem 62: 1180-1202 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01218
BindingDB Entry DOI: 10.7270/Q2ZC867R
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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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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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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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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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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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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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
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50384600
PNG
(CHEMBL2036792 | US9744172, Compound UNC00000563A)
Show SMILES CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |(53.41,-28.01,;54.75,-28.78,;56.08,-28.01,;56.08,-26.46,;57.41,-25.69,;58.74,-26.46,;60.22,-25.98,;61.13,-27.23,;60.22,-28.49,;60.7,-29.95,;59.67,-31.09,;58.16,-30.76,;57.13,-31.9,;57.6,-33.37,;56.56,-34.51,;59.11,-33.69,;60.14,-32.55,;58.75,-28.01,;57.41,-28.78,;60.69,-24.51,;62.2,-24.2,;62.68,-22.74,;61.65,-21.59,;60.13,-21.92,;59.67,-23.38,;62.12,-20.13,;63.62,-19.81,;64.1,-18.35,;63.07,-17.2,;61.56,-17.52,;61.08,-18.99,)|
Show InChI InChI=1S/C23H32N8/c1-25-23-27-14-20-21(17-4-8-19(9-5-17)30-12-10-26-11-13-30)29-31(22(20)28-23)15-16-2-6-18(24)7-3-16/h4-5,8-9,14,16,18,26H,2-3,6-7,10-13,15,24H2,1H3,(H,25,27,28)
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University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)

J Med Chem 62: 1180-1202 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01218
BindingDB Entry DOI: 10.7270/Q2ZC867R
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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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...)		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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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...)		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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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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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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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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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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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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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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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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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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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...)		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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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...)		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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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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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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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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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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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
Mitogen-activated protein kinase 11


(Homo sapiens (Human))		BDBM50548060
PNG
(CHEMBL4762609)
Show SMILES Fc1ccc(CC(=O)N2CCC(CC2)Nc2ncc3c(n[nH]c3n2)N2CCOCC2)cc1F
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TBA

Assay Description
Inhibition of human p38beta MAPK (1 to 364 residues) incubated for 5 mins in presence of [gamma33P]ATP by scintillation counting analysis

Citation and Details

Article DOI: 10.1039/d0md00203h
BindingDB Entry DOI: 10.7270/Q2QJ7MWD
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50613723
PNG
(CHEMBL5268330)
Show SMILES COc1cc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)ncn1
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50613719
PNG
(CHEMBL5281165)
Show SMILES Cc1noc(C)c1-c1noc(n1)-c1nnn(Cc2ccc(CN3CCOCC3)cc2)c1N
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n/an/a 6.00E+3n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50517286
PNG
(CHEMBL4516798)
Show SMILES COc1ccccc1-c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)nc(OC)c12 |r,wU:15.15,wD:18.22,(27.63,-17.54,;29.14,-17.85,;30.16,-16.7,;29.67,-15.24,;30.7,-14.08,;32.21,-14.4,;32.69,-15.86,;31.66,-17.01,;32.15,-18.46,;31.24,-19.72,;32.16,-20.97,;33.63,-20.48,;34.96,-21.25,;36.3,-20.48,;37.63,-21.25,;38.96,-20.48,;38.95,-18.94,;40.29,-18.17,;41.62,-18.95,;41.62,-20.49,;40.29,-21.25,;42.96,-18.18,;44.29,-18.95,;45.05,-20.28,;43.51,-20.27,;45.63,-18.18,;46.96,-18.96,;48.29,-18.19,;49.51,-17.49,;49.8,-18.76,;48.56,-16.6,;36.29,-18.93,;34.96,-18.17,;34.95,-16.63,;36.29,-15.86,;33.62,-18.94,)|
Show InChI InChI=1S/C22H27F3N6O4S/c1-34-16-6-4-3-5-15(16)18-17-19(30-29-18)27-21(28-20(17)35-2)26-13-7-9-14(10-8-13)31-36(32,33)12-11-22(23,24)25/h3-6,13-14,31H,7-12H2,1-2H3,(H2,26,27,28,29,30)/t13-,14-
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n/an/a 6.31E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 20 mins followed by substrate addition and measured afte...

J Med Chem 62: 1180-1202 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01218
BindingDB Entry DOI: 10.7270/Q2ZC867R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50613721
PNG
(CHEMBL5275547)
Show SMILES Nc1c(nnn1Cc1ccc(CN2CCOCC2)cc1)C(=O)Nc1cccc(F)c1
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50613725
PNG
(CHEMBL5268278)
Show SMILES COc1cccc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)c1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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