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Found 76 hits Enz. Inhib. hit(s) with Target = 'Branched-chain-amino-acid aminotransferase, mitochondrial' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118668
PNG
(CHEMBL3617086)
Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118669
PNG
(CHEMBL3617083)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118637
PNG
(CHEMBL3617084)
Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/s2
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118665
PNG
(CHEMBL3617085)
Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118672
PNG
(CHEMBL3617082)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118524
PNG
(CHEMBL3617080)
Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1/C18H17BrFN5O/c1-3-4-12-8-16(26)25-18(23-12)14(9-21)17(24-25)22-10(2)13-6-5-11(19)7-15(13)20/h5-8,10,23H,3-4H2,1-2H3,(H,22,24)/t10-/s2
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118523
PNG
(CHEMBL3617079)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H15BrFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118588
PNG
(CHEMBL3617095)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H16BrN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118665
PNG
(CHEMBL3617085)
Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118610
PNG
(CHEMBL3617102)
Show SMILES Clc1ccc(CNc2nn3c([nH]c(Cc4ccoc4)cc3=O)c2C#N)cc1
Show InChI InChI=1S/C19H14ClN5O2/c20-14-3-1-12(2-4-14)10-22-18-16(9-21)19-23-15(7-13-5-6-27-11-13)8-17(26)25(19)24-18/h1-6,8,11,23H,7,10H2,(H,22,24)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118607
PNG
(CHEMBL3617098)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H18ClN5O/c1-2-3-4-14-9-16(25)24-18(22-14)15(10-20)17(23-24)21-11-12-5-7-13(19)8-6-12/h5-9,22H,2-4,11H2,1H3,(H,21,23)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118521
PNG
(CHEMBL3617077)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H15ClFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118669
PNG
(CHEMBL3617083)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118637
PNG
(CHEMBL3617084)
Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/s2
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118522
PNG
(CHEMBL3617078)
Show SMILES CCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,23H,2-3,8H2,1H3,(H,22,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118524
PNG
(CHEMBL3617080)
Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1/C18H17BrFN5O/c1-3-4-12-8-16(26)25-18(23-12)14(9-21)17(24-25)22-10(2)13-6-5-11(19)7-15(13)20/h5-8,10,23H,3-4H2,1-2H3,(H,22,24)/t10-/s2
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118668
PNG
(CHEMBL3617086)
Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118578
PNG
(CHEMBL3617094)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H16ClN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118672
PNG
(CHEMBL3617082)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118589
PNG
(CHEMBL3617096)
Show SMILES Clc1ccc(CNc2nn3c([nH]c(Cc4ccccc4)cc3=O)c2C#N)cc1
Show InChI InChI=1S/C21H16ClN5O/c22-16-8-6-15(7-9-16)13-24-20-18(12-23)21-25-17(11-19(28)27(21)26-20)10-14-4-2-1-3-5-14/h1-9,11,25H,10,13H2,(H,24,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118609
PNG
(CHEMBL3617100)
Show SMILES CC(C)CCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C19H20ClN5O/c1-12(2)3-8-15-9-17(26)25-19(23-15)16(10-21)18(24-25)22-11-13-4-6-14(20)7-5-13/h4-7,9,12,23H,3,8,11H2,1-2H3,(H,22,24)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118520
PNG
(CHEMBL3617075)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cn3)c(C#N)c2[nH]1
Show InChI InChI=1S/C16H15BrN6O/c1-2-3-11-6-14(24)23-16(21-11)13(7-18)15(22-23)20-9-12-5-4-10(17)8-19-12/h4-6,8,21H,2-3,9H2,1H3,(H,20,22)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118522
PNG
(CHEMBL3617078)
Show SMILES CCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,23H,2-3,8H2,1H3,(H,22,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118523
PNG
(CHEMBL3617079)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H15BrFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118616
PNG
(CHEMBL3617071)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)c(C)c3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H18ClN5O/c1-3-4-13-8-16(25)24-18(22-13)14(9-20)17(23-24)21-10-12-5-6-15(19)11(2)7-12/h5-8,22H,3-4,10H2,1-2H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118612
PNG
(CHEMBL3617105)
Show SMILES CCCc1cc(=O)n2nc(COc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H15ClN4O2/c1-2-3-12-8-16(23)22-17(20-12)14(9-19)15(21-22)10-24-13-6-4-11(18)5-7-13/h4-8,20H,2-3,10H2,1H3
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118607
PNG
(CHEMBL3617098)
Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H18ClN5O/c1-2-3-4-14-9-16(25)24-18(22-14)15(10-20)17(23-24)21-11-12-5-7-13(19)8-6-12/h5-9,22H,2-4,11H2,1H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118619
PNG
(CHEMBL3617106)
Show SMILES CCCc1cc(=O)n2nc(OCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H15ClN4O2/c1-2-3-13-8-15(23)22-16(20-13)14(9-19)17(21-22)24-10-11-4-6-12(18)7-5-11/h4-8,20H,2-3,10H2,1H3
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118588
PNG
(CHEMBL3617095)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H16BrN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118608
PNG
(CHEMBL3617099)
Show SMILES CC(C)Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H18ClN5O/c1-11(2)7-14-8-16(25)24-18(22-14)15(9-20)17(23-24)21-10-12-3-5-13(19)6-4-12/h3-6,8,11,22H,7,10H2,1-2H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118615
PNG
(CHEMBL3617070)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(C)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H19N5O/c1-3-4-14-9-16(24)23-18(21-14)15(10-19)17(22-23)20-11-13-7-5-12(2)6-8-13/h5-9,21H,3-4,11H2,1-2H3,(H,20,22)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118611
PNG
(CHEMBL3617103)
Show SMILES CCCc1cc(=O)n2nc(NCCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H18ClN5O/c1-2-3-14-10-16(25)24-18(22-14)15(11-20)17(23-24)21-9-8-12-4-6-13(19)7-5-12/h4-7,10,22H,2-3,8-9H2,1H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118674
PNG
(CHEMBL3617076)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)c(F)c3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H15ClFN5O/c1-2-3-11-7-15(25)24-17(22-11)12(8-20)16(23-24)21-9-10-4-5-13(18)14(19)6-10/h4-7,22H,2-3,9H2,1H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118521
PNG
(CHEMBL3617077)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H15ClFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118614
PNG
(CHEMBL3617088)
Show SMILES CCCc1cc(=O)n2nc(CC(=O)N3CCCC3)c(C#N)c2[nH]1
Show InChI InChI=1S/C16H19N5O2/c1-2-5-11-8-15(23)21-16(18-11)12(10-17)13(19-21)9-14(22)20-6-3-4-7-20/h8,18H,2-7,9H2,1H3
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118525
PNG
(CHEMBL3617092)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)nc2[nH]1
Show InChI InChI=1S/C15H16BrN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-8H,2-3,9H2,1H3,(H2,17,18,19,20)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118609
PNG
(CHEMBL3617100)
Show SMILES CC(C)CCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C19H20ClN5O/c1-12(2)3-8-15-9-17(26)25-19(23-15)16(10-21)18(24-25)22-11-13-4-6-14(20)7-5-13/h4-7,9,12,23H,3,8,11H2,1-2H3,(H,22,24)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118578
PNG
(CHEMBL3617094)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H16ClN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118613
PNG
(CHEMBL3617107)
Show SMILES CCCc1cc(=O)n2nc(CCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H17ClN4O/c1-2-3-14-10-17(24)23-18(21-14)15(11-20)16(22-23)9-6-12-4-7-13(19)8-5-12/h4-5,7-8,10,21H,2-3,6,9H2,1H3
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118634
PNG
(CHEMBL3617072)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3OC)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H18ClN5O2/c1-3-4-13-8-16(25)24-18(22-13)14(9-20)17(23-24)21-10-11-5-6-12(19)7-15(11)26-2/h5-8,22H,3-4,10H2,1-2H3,(H,21,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118617
PNG
(CHEMBL3617087)
Show SMILES CCCc1cc(=O)n2nc(C(=O)Nc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H14ClN5O2/c1-2-3-12-8-14(24)23-16(20-12)13(9-19)15(22-23)17(25)21-11-6-4-10(18)5-7-11/h4-8,20H,2-3H2,1H3,(H,21,25)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118525
PNG
(CHEMBL3617092)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)nc2[nH]1
Show InChI InChI=1S/C15H16BrN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-8H,2-3,9H2,1H3,(H2,17,18,19,20)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118611
PNG
(CHEMBL3617103)
Show SMILES CCCc1cc(=O)n2nc(NCCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H18ClN5O/c1-2-3-14-10-16(25)24-18(22-14)15(11-20)17(23-24)21-9-8-12-4-6-13(19)7-5-12/h4-7,10,22H,2-3,8-9H2,1H3,(H,21,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118618
PNG
(CHEMBL3617108)
Show SMILES CCCc1cc(=O)n2nc(NC(=O)c3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H14ClN5O2/c1-2-3-12-8-14(24)23-16(20-12)13(9-19)15(22-23)21-17(25)10-4-6-11(18)7-5-10/h4-8,20H,2-3H2,1H3,(H,21,22,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118616
PNG
(CHEMBL3617071)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)c(C)c3)c(C#N)c2[nH]1
Show InChI InChI=1S/C18H18ClN5O/c1-3-4-13-8-16(25)24-18(22-13)14(9-20)17(23-24)21-10-12-5-6-15(19)11(2)7-12/h5-8,22H,3-4,10H2,1-2H3,(H,21,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118620
PNG
(CHEMBL3617104)
Show SMILES CCCc1cc(=O)n2nc(CNc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H16ClN5O/c1-2-3-13-8-16(24)23-17(21-13)14(9-19)15(22-23)10-20-12-6-4-11(18)5-7-12/h4-8,20-21H,2-3,10H2,1H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118633
PNG
(CHEMBL3617069)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccccc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H17N5O/c1-2-6-13-9-15(23)22-17(20-13)14(10-18)16(21-22)19-11-12-7-4-3-5-8-12/h3-5,7-9,20H,2,6,11H2,1H3,(H,19,21)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118526
PNG
(CHEMBL3617093)
Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)nc2[nH]1
Show InChI InChI=1S/C15H16ClN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-8H,2-3,9H2,1H3,(H2,17,18,19,20)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118589
PNG
(CHEMBL3617096)
Show SMILES Clc1ccc(CNc2nn3c([nH]c(Cc4ccccc4)cc3=O)c2C#N)cc1
Show InChI InChI=1S/C21H16ClN5O/c22-16-8-6-15(7-9-16)13-24-20-18(12-23)21-25-17(11-19(28)27(21)26-20)10-14-4-2-1-3-5-14/h1-9,11,25H,10,13H2,(H,24,26)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens)
BDBM50118622
PNG
(CHEMBL3617097)
Show SMILES CCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1
Show InChI InChI=1S/C16H14ClN5O/c1-2-12-7-14(23)22-16(20-12)13(8-18)15(21-22)19-9-10-3-5-11(17)6-4-10/h3-7,20H,2,9H2,1H3,(H,19,21)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...


J Med Chem 58: 7140-63 (2015)

More data for this
Ligand-Target Pair
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