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PubMed code 27096045

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173927
PNG
(CHEMBL3808902)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173927
PNG
(CHEMBL3808902)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173926
PNG
(CHEMBL3808971)
Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H22BrN5O2S/c25-21-10-9-20(33-21)24(32)28-15-4-3-5-16(13-15)30-19-8-7-14(22(26)31)12-18(19)29-23(30)17-6-1-2-11-27-17/h1-2,6-12,15-16H,3-5,13H2,(H2,26,31)(H,28,32)/t15-,16+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173928
PNG
(CHEMBL3809839)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H25BrN4O2S/c1-28-25(32)17-10-11-21-20(14-17)30-24(16-6-3-2-4-7-16)31(21)19-9-5-8-18(15-19)29-26(33)22-12-13-23(27)34-22/h2-4,6-7,10-14,18-19H,5,8-9,15H2,1H3,(H,28,32)(H,29,33)/t18-,19+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173926
PNG
(CHEMBL3808971)
Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H22BrN5O2S/c25-21-10-9-20(33-21)24(32)28-15-4-3-5-16(13-15)30-19-8-7-14(22(26)31)12-18(19)29-23(30)17-6-1-2-11-27-17/h1-2,6-12,15-16H,3-5,13H2,(H2,26,31)(H,28,32)/t15-,16+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173928
PNG
(CHEMBL3809839)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H25BrN4O2S/c1-28-25(32)17-10-11-21-20(14-17)30-24(16-6-3-2-4-7-16)31(21)19-9-5-8-18(15-19)29-26(33)22-12-13-23(27)34-22/h2-4,6-7,10-14,18-19H,5,8-9,15H2,1H3,(H,28,32)(H,29,33)/t18-,19+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173923
PNG
(CHEMBL3810317)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cccs1 |r|
Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-7-8-18-17(12-14)28-22(19-6-3-11-32-19)29(18)16-5-2-4-15(13-16)27-24(31)20-9-10-21(25)33-20/h3,6-12,15-16H,2,4-5,13H2,1H3,(H,26,30)(H,27,31)/t15-,16+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173922
PNG
(CHEMBL3809282)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccsc1 |r|
Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-5-6-19-18(11-14)28-22(15-9-10-32-13-15)29(19)17-4-2-3-16(12-17)27-24(31)20-7-8-21(25)33-20/h5-11,13,16-17H,2-4,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173923
PNG
(CHEMBL3810317)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cccs1 |r|
Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-7-8-18-17(12-14)28-22(19-6-3-11-32-19)29(18)16-5-2-4-15(13-16)27-24(31)20-9-10-21(25)33-20/h3,6-12,15-16H,2,4-5,13H2,1H3,(H,26,30)(H,27,31)/t15-,16+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173922
PNG
(CHEMBL3809282)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccsc1 |r|
Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-5-6-19-18(11-14)28-22(15-9-10-32-13-15)29(19)17-4-2-3-16(12-17)27-24(31)20-7-8-21(25)33-20/h5-11,13,16-17H,2-4,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173939
PNG
(CHEMBL3809237)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r|
Show InChI InChI=1S/C27H27BrN4O2S2/c1-29-26(33)16-10-11-21-20(14-16)31-25(19-8-3-4-9-22(19)35-2)32(21)18-7-5-6-17(15-18)30-27(34)23-12-13-24(28)36-23/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)(H,30,34)/t17-,18+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173918
PNG
(CHEMBL3809916)
Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(s3)C#N)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H22N6O2S/c26-14-18-8-10-22(34-18)25(33)29-16-4-3-5-17(13-16)31-21-9-7-15(23(27)32)12-20(21)30-24(31)19-6-1-2-11-28-19/h1-2,6-12,16-17H,3-5,13H2,(H2,27,32)(H,29,33)/t16-,17+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173916
PNG
(CHEMBL3809321)
Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Cl)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H22ClN5O2S/c25-21-10-9-20(33-21)24(32)28-15-4-3-5-16(13-15)30-19-8-7-14(22(26)31)12-18(19)29-23(30)17-6-1-2-11-27-17/h1-2,6-12,15-16H,3-5,13H2,(H2,26,31)(H,28,32)/t15-,16+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173939
PNG
(CHEMBL3809237)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r|
Show InChI InChI=1S/C27H27BrN4O2S2/c1-29-26(33)16-10-11-21-20(14-16)31-25(19-8-3-4-9-22(19)35-2)32(21)18-7-5-6-17(15-18)30-27(34)23-12-13-24(28)36-23/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)(H,30,34)/t17-,18+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173933
PNG
(CHEMBL3808894)
Show SMILES Brc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(=O)NC1CC1)-c1ccccn1 |r|
Show InChI InChI=1S/C27H26BrN5O2S/c28-24-12-11-23(36-24)27(35)31-18-4-3-5-19(15-18)33-22-10-7-16(26(34)30-17-8-9-17)14-21(22)32-25(33)20-6-1-2-13-29-20/h1-2,6-7,10-14,17-19H,3-5,8-9,15H2,(H,30,34)(H,31,35)/t18-,19+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173925
PNG
(CHEMBL3808495)
Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cccnc1 |r|
Show InChI InChI=1S/C24H22BrN5O2S/c25-21-9-8-20(33-21)24(32)28-16-4-1-5-17(12-16)30-19-7-6-14(22(26)31)11-18(19)29-23(30)15-3-2-10-27-13-15/h2-3,6-11,13,16-17H,1,4-5,12H2,(H2,26,31)(H,28,32)/t16-,17+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173931
PNG
(CHEMBL3808975)
Show SMILES CC(C)NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C27H28BrN5O2S/c1-16(2)30-26(34)17-9-10-22-21(14-17)32-25(20-8-3-4-13-29-20)33(22)19-7-5-6-18(15-19)31-27(35)23-11-12-24(28)36-23/h3-4,8-14,16,18-19H,5-7,15H2,1-2H3,(H,30,34)(H,31,35)/t18-,19+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173921
PNG
(CHEMBL3809574)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1csc(C)n1 |r|
Show InChI InChI=1S/C24H24BrN5O2S2/c1-13-27-18(12-33-13)22-29-17-10-14(23(31)26-2)6-7-19(17)30(22)16-5-3-4-15(11-16)28-24(32)20-8-9-21(25)34-20/h6-10,12,15-16H,3-5,11H2,1-2H3,(H,26,31)(H,28,32)/t15-,16+/m0/s1
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173920
PNG
(CHEMBL3808530)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C23H22BrN5O2S2/c1-25-21(30)13-5-6-17-16(11-13)28-20(23-26-9-10-32-23)29(17)15-4-2-3-14(12-15)27-22(31)18-7-8-19(24)33-18/h5-11,14-15H,2-4,12H2,1H3,(H,25,30)(H,27,31)/t14-,15+/m0/s1
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173937
PNG
(CHEMBL3809820)
Show SMILES Brc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2ccccc12)-c1ccccn1 |r|
Show InChI InChI=1S/C23H21BrN4OS/c24-21-12-11-20(30-21)23(29)26-15-6-5-7-16(14-15)28-19-10-2-1-8-17(19)27-22(28)18-9-3-4-13-25-18/h1-4,8-13,15-16H,5-7,14H2,(H,26,29)/t15-,16+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173918
PNG
(CHEMBL3809916)
Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(s3)C#N)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H22N6O2S/c26-14-18-8-10-22(34-18)25(33)29-16-4-3-5-17(13-16)31-21-9-7-15(23(27)32)12-20(21)30-24(31)19-6-1-2-11-28-19/h1-2,6-12,16-17H,3-5,13H2,(H2,27,32)(H,29,33)/t16-,17+/m0/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))		BDBM50173939
PNG
(CHEMBL3809237)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1SC |r|
Show InChI InChI=1S/C27H27BrN4O2S2/c1-29-26(33)16-10-11-21-20(14-16)31-25(19-8-3-4-9-22(19)35-2)32(21)18-7-5-6-17(15-18)30-27(34)23-12-13-24(28)36-23/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)(H,30,34)/t17-,18+/m0/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BCATc (unknown origin)

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173915
PNG
(CHEMBL3809792)
Show SMILES Cc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(N)=O)-c1ccccn1 |r|
Show InChI InChI=1S/C25H25N5O2S/c1-15-8-11-22(33-15)25(32)28-17-5-4-6-18(14-17)30-21-10-9-16(23(26)31)13-20(21)29-24(30)19-7-2-3-12-27-19/h2-3,7-13,17-18H,4-6,14H2,1H3,(H2,26,31)(H,28,32)/t17-,18+/m0/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173924
PNG
(CHEMBL3809704)
Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C24H22BrN5O2S/c25-21-7-6-20(33-21)24(32)28-16-2-1-3-17(13-16)30-19-5-4-15(22(26)31)12-18(19)29-23(30)14-8-10-27-11-9-14/h4-12,16-17H,1-3,13H2,(H2,26,31)(H,28,32)/t16-,17+/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173940
PNG
(CHEMBL3809515)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cc(Br)c[nH]3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H25BrN6O2/c1-27-24(33)15-8-9-22-20(11-15)31-23(19-7-2-3-10-28-19)32(22)18-6-4-5-17(13-18)30-25(34)21-12-16(26)14-29-21/h2-3,7-12,14,17-18,29H,4-6,13H2,1H3,(H,27,33)(H,30,34)/t17-,18+/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173930
PNG
(CHEMBL3808610)
Show SMILES CN([C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(N)=O)-c1ccccn1)C(=O)c1ccc(Br)s1 |r|
Show InChI InChI=1S/C25H24BrN5O2S/c1-30(25(33)21-10-11-22(26)34-21)16-5-4-6-17(14-16)31-20-9-8-15(23(27)32)13-19(20)29-24(31)18-7-2-3-12-28-18/h2-3,7-13,16-17H,4-6,14H2,1H3,(H2,27,32)/t16-,17+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173938
PNG
(CHEMBL3808493)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)n3C)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H27BrN6O2/c1-28-25(34)16-9-10-21-20(14-16)31-24(19-8-3-4-13-29-19)33(21)18-7-5-6-17(15-18)30-26(35)22-11-12-23(27)32(22)2/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,28,34)(H,30,35)/t17-,18+/m0/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173919
PNG
(CHEMBL3808453)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cc[nH]n1 |r|
Show InChI InChI=1S/C23H23BrN6O2S/c1-25-22(31)13-5-6-18-17(11-13)28-21(16-9-10-26-29-16)30(18)15-4-2-3-14(12-15)27-23(32)19-7-8-20(24)33-19/h5-11,14-15H,2-4,12H2,1H3,(H,25,31)(H,26,29)(H,27,32)/t14-,15+/m0/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173988
PNG
(CHEMBL3809941)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cnc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H23BrN6O2S/c1-26-22(32)14-8-9-19-18(11-14)30-21(17-7-2-3-10-27-17)31(19)16-6-4-5-15(12-16)29-23(33)20-13-28-24(25)34-20/h2-3,7-11,13,15-16H,4-6,12H2,1H3,(H,26,32)(H,29,33)/t15-,16+/m0/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))		BDBM50173927
PNG
(CHEMBL3808902)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BCATc (unknown origin)

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173934
PNG
(CHEMBL3809651)
Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3cc(Cl)no3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H23ClN6O3/c1-26-23(32)14-8-9-19-18(11-14)29-22(17-7-2-3-10-27-17)31(19)16-6-4-5-15(12-16)28-24(33)20-13-21(25)30-34-20/h2-3,7-11,13,15-16H,4-6,12H2,1H3,(H,26,32)(H,28,33)/t15-,16+/m0/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173932
PNG
(CHEMBL3809727)
Show SMILES CN(C)C(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H26BrN5O2S/c1-31(2)26(34)16-9-10-21-20(14-16)30-24(19-8-3-4-13-28-19)32(21)18-7-5-6-17(15-18)29-25(33)22-11-12-23(27)35-22/h3-4,8-14,17-18H,5-7,15H2,1-2H3,(H,29,33)/t17-,18+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173946
PNG
(CHEMBL3809828)
Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NS(=O)(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r|
Show InChI InChI=1S/C23H22BrN5O3S2/c24-20-9-10-21(33-20)34(31,32)28-15-4-3-5-16(13-15)29-19-8-7-14(22(25)30)12-18(19)27-23(29)17-6-1-2-11-26-17/h1-2,6-12,15-16,28H,3-5,13H2,(H2,25,30)/t15-,16+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))		BDBM50173937
PNG
(CHEMBL3809820)
Show SMILES Brc1ccc(s1)C(=O)N[C@H]1CCC[C@H](C1)n1c(nc2ccccc12)-c1ccccn1 |r|
Show InChI InChI=1S/C23H21BrN4OS/c24-21-12-11-20(30-21)23(29)26-15-6-5-7-16(14-15)28-19-10-2-1-8-17(19)27-22(28)18-9-3-4-13-25-18/h1-4,8-13,15-16H,5-7,14H2,(H,26,29)/t15-,16+/m0/s1
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n/an/a<5.01E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase ...

ACS Med Chem Lett 7: 379-84 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00389
BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%