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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'giordano' and Initial = 'i'   
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
Lck


(Mus musculus)
BDBM26166
PNG
(2,4-dianilino pyrimidine, 23 | 3-({4-[(5-hydroxy-2...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17N5O3S/c1-11-5-6-13(23)10-15(11)21-16-7-8-19-17(22-16)20-12-3-2-4-14(9-12)26(18,24)25/h2-10,23H,1H3,(H2,18,24,25)(H2,19,20,21,22)
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n/an/a 8.5n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26180
PNG
(2,4-dianilino pyrimidine, 37 | 3-({4-[(5-methyl-1H...)
Show SMILES Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C19H17N7O/c1-11-5-6-15-14(10-22-26-15)17(11)24-16-7-8-21-19(25-16)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
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n/an/a 12n/an/an/an/an/an/a



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26145
PNG
(2,4-dianilino pyrimidine, 2 | 3-({4-[(5-hydroxy-2-...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H17N5O2/c1-11-5-6-14(24)10-15(11)22-16-7-8-20-18(23-16)21-13-4-2-3-12(9-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 13n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26186
PNG
(2,4-dianilino pyrimidine, 43 | 3-({4-[(5-methyl-1H...)
Show SMILES Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H17N7O2S/c1-11-5-6-15-14(10-21-25-15)17(11)23-16-7-8-20-18(24-16)22-12-3-2-4-13(9-12)28(19,26)27/h2-10H,1H3,(H,21,25)(H2,19,26,27)(H2,20,22,23,24)
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n/an/a 19n/an/an/an/an/an/a



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26185
PNG
(2,4-dianilino pyrimidine, 42 | 3-{[4-(1H-indazol-4...)
Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C17H15N7O2S/c18-27(25,26)12-4-1-3-11(9-12)21-17-19-8-7-16(23-17)22-14-5-2-6-15-13(14)10-20-24-15/h1-10H,(H,20,24)(H2,18,25,26)(H2,19,21,22,23)
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n/an/a 33n/an/an/an/an/an/a



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26152
PNG
(2,4-dianilino pyrimidine, 9 | 3-({4-[(4-hydroxy-2-...)
Show SMILES Cc1cc(O)ccc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H17N5O2/c1-11-9-14(24)5-6-15(11)22-16-7-8-20-18(23-16)21-13-4-2-3-12(10-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 40n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26149
PNG
(2,4-dianilino pyrimidine, 6 | 3-({4-[(2-bromo-5-hy...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cc(O)ccc3Br)n2)c1
Show InChI InChI=1S/C17H14BrN5O2/c18-13-5-4-12(24)9-14(13)22-15-6-7-20-17(23-15)21-11-3-1-2-10(8-11)16(19)25/h1-9,24H,(H2,19,25)(H2,20,21,22,23)
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n/an/a 41n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241780
PNG
(CHEMBL4105269)
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n/an/a 46n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26167
PNG
(2,4-dianilino pyrimidine, 24 | 3-({4-[(5-methoxy-2...)
Show SMILES COc1ccc(C)c(Nc2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c1
Show InChI InChI=1S/C18H19N5O3S/c1-12-6-7-14(26-2)11-16(12)22-17-8-9-20-18(23-17)21-13-4-3-5-15(10-13)27(19,24)25/h3-11H,1-2H3,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 54n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26182
PNG
(2,4-dianilino pyrimidine, 39 | 3-({4-[(7-methyl-1H...)
Show SMILES Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c2cn[nH]c12
Show InChI InChI=1S/C19H17N7O/c1-11-5-6-15(14-10-22-26-17(11)14)24-16-7-8-21-19(25-16)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
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n/an/a 55n/an/an/an/an/an/a



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241754
PNG
(CHEMBL4077894)
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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
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM25191
PNG
(4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-y...)
Show SMILES Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
Show InChI InChI=1S/C20H15N3O2S/c1-12-2-4-14(25)9-17(12)22-16-6-7-21-18-8-13(3-5-15(16)18)19-11-26-20(10-24)23-19/h2-11,25H,1H3,(H,21,22)
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n/an/a 59n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26147
PNG
(2,4-dianilino pyrimidine, 4 | 3-({4-[(3-hydroxy-5-...)
Show SMILES Cc1cc(O)cc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c1
Show InChI InChI=1S/C18H17N5O2/c1-11-7-14(10-15(24)8-11)21-16-5-6-20-18(23-16)22-13-4-2-3-12(9-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 73n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241778
PNG
(CHEMBL4086672)
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n/an/a 74n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241756
PNG
(CHEMBL4075879)
PDB

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n/an/a 75n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241795
PNG
(CHEMBL4104309)
PDB

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n/an/a 76n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241792
PNG
(CHEMBL4102148)
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n/an/a 80n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26156
PNG
(2,4-dianilino pyrimidine, 13 | 3-({4-[(5-methoxy-2...)
Show SMILES COc1ccc(C)c(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c1
Show InChI InChI=1S/C19H19N5O2/c1-12-6-7-15(26-2)11-16(12)23-17-8-9-21-19(24-17)22-14-5-3-4-13(10-14)18(20)25/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24)
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n/an/a 86n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26151
PNG
(2,4-dianilino pyrimidine, 8 | 3-({4-[(2-methylphen...)
Show SMILES Cc1ccccc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H17N5O/c1-12-5-2-3-8-15(12)22-16-9-10-20-18(23-16)21-14-7-4-6-13(11-14)17(19)24/h2-11H,1H3,(H2,19,24)(H2,20,21,22,23)
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n/an/a 89n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241791
PNG
(CHEMBL4082544)
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n/an/a 92n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26157
PNG
(2,4-dianilino pyrimidine, 14 | 3-({4-[(5-amino-2-m...)
Show SMILES Cc1ccc(N)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H18N6O/c1-11-5-6-13(19)10-15(11)23-16-7-8-21-18(24-16)22-14-4-2-3-12(9-14)17(20)25/h2-10H,19H2,1H3,(H2,20,25)(H2,21,22,23,24)
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n/an/a 97n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26153
PNG
(2,4-dianilino pyrimidine, 10 | 3-({4-[(2-hydroxy-6...)
Show SMILES Cc1cccc(O)c1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H17N5O2/c1-11-4-2-7-14(24)16(11)22-15-8-9-20-18(23-15)21-13-6-3-5-12(10-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
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n/an/a 100n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26179
PNG
(2,4-dianilino pyrimidine, 36 | 3-{[4-(1H-indazol-4...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C18H15N7O/c19-17(26)11-3-1-4-12(9-11)22-18-20-8-7-16(24-18)23-14-5-2-6-15-13(14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)
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n/an/a 100n/an/an/an/an/an/a



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241782
PNG
(CHEMBL4081207)
PDB

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n/an/a 120n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241781
PNG
(CHEMBL4066833)
PDB

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n/an/a 120n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241789
PNG
(CHEMBL4084478)
PDB

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n/an/a 130n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241755
PNG
(CHEMBL4081755)
PDB

UniProtKB/SwissProt

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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
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26146
PNG
(2,4-dianilino pyrimidine, 3 | 3-({4-[(3-hydroxyphe...)
Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc(O)c3)n2)c1
Show InChI InChI=1S/C17H15N5O2/c18-16(24)11-3-1-4-12(9-11)21-17-19-8-7-15(22-17)20-13-5-2-6-14(23)10-13/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
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n/an/a 130n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241772
PNG
(CHEMBL4105458)
PDB

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n/an/a 150n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241757
PNG
(CHEMBL4066786)
PDB

UniProtKB/SwissProt

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n/an/a 150n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241769
PNG
(CHEMBL4090012)
PDB

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n/an/a 160n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26148
PNG
(2,4-dianilino pyrimidine, 5 | 3-({4-[(3-hydroxy-4-...)
Show SMILES Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)cc1O
Show InChI InChI=1S/C18H17N5O2/c1-11-5-6-14(10-15(11)24)21-16-7-8-20-18(23-16)22-13-4-2-3-12(9-13)17(19)25/h2-10,24H,1H3,(H2,19,25)(H2,20,21,22,23)
PDB
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n/an/a 190n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241760
PNG
(CHEMBL4067937)
PDB

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n/an/a 200n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241779
PNG
(CHEMBL4082159)
PDB

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n/an/a 200n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241798
PNG
(CHEMBL4084509)
PDB

UniProtKB/SwissProt

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n/an/a 240n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241759
PNG
(CHEMBL4094412)
PDB

UniProtKB/SwissProt

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n/an/a 240n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241770
PNG
(CHEMBL4061966)
PDB

UniProtKB/SwissProt

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n/an/a 240n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241799
PNG
(CHEMBL4096785)
PDB

UniProtKB/SwissProt

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n/an/a 250n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241800
PNG
(CHEMBL4074178)
PDB

UniProtKB/SwissProt

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n/an/a 250n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241766
PNG
(CHEMBL4087944)
PDB

UniProtKB/SwissProt

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n/an/a 260n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241775
PNG
(CHEMBL4078760)
PDB

UniProtKB/SwissProt

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n/an/a 260n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241793
PNG
(CHEMBL4066921)
PDB

UniProtKB/SwissProt

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n/an/a 270n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00631
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26154
PNG
(2,4-dianilino pyrimidine, 11 | 3-({4-[(5-fluoro-2-...)
Show SMILES Cc1ccc(F)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
Show InChI InChI=1S/C18H16FN5O/c1-11-5-6-13(19)10-15(11)23-16-7-8-21-18(24-16)22-14-4-2-3-12(9-14)17(20)25/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)
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n/an/a 270n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241767
PNG
(CHEMBL4076333)
PDB

UniProtKB/SwissProt

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n/an/a 290n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241758
PNG
(CHEMBL4104573)
PDB

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n/an/a 310n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241794
PNG
(CHEMBL4075254)
PDB

UniProtKB/SwissProt

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n/an/a 320n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241761
PNG
(CHEMBL4089141)
PDB

UniProtKB/SwissProt

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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
More data for this
Ligand-Target Pair
Lck


(Mus musculus)
BDBM26168
PNG
(2,4-dianilino pyrimidine, 25 | 3-({4-[(2,4-difluor...)
Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc(F)cc3F)n2)c1
Show InChI InChI=1S/C16H13F2N5O2S/c17-10-4-5-14(13(18)8-10)22-15-6-7-20-16(23-15)21-11-2-1-3-12(9-11)26(19,24)25/h1-9H,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 350n/an/an/an/a7.422



GSK



Assay Description
Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured usin...


Bioorg Med Chem Lett 17: 4363-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.029
BindingDB Entry DOI: 10.7270/Q21R6NTD
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241776
PNG
(CHEMBL4071439)
PDB

UniProtKB/SwissProt

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n/an/a 370n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50241783
PNG
(CHEMBL4081973)
PDB

UniProtKB/SwissProt

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n/an/a 370n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc.

Curated by ChEMBL




J Med Chem 60: 8011-8026 (2017)


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