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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50047363   
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))
BDBM50162342
PNG
(CHEMBL3794222)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1nncs1
Show InChI InChI=1S/C10H7N5O2S2/c1-4-5-7(16)11-2-12-9(5)19-6(4)8(17)14-10-15-13-3-18-10/h2-3H,1H3,(H,11,12,16)(H,14,15,17)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162491
PNG
(CHEMBL3794419)
Show SMILES Cc1cc2cc(C)c(SCC(O)=O)nc2cc1C
Show InChI InChI=1S/C14H15NO2S/c1-8-4-11-5-10(3)14(18-7-13(16)17)15-12(11)6-9(8)2/h4-6H,7H2,1-3H3,(H,16,17)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162318
PNG
(CHEMBL3794532)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccccc1CC(O)=O
Show InChI InChI=1S/C16H13N3O4S/c1-8-12-14(22)17-7-18-16(12)24-13(8)15(23)19-10-5-3-2-4-9(10)6-11(20)21/h2-5,7H,6H2,1H3,(H,19,23)(H,20,21)(H,17,18,22)
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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 incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162294
PNG
(CHEMBL3793997)
Show SMILES O=C1N(CCc2ccccc12)c1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C18H15N3O/c22-18-16-4-2-1-3-13(16)10-12-21(18)15-7-5-14(6-8-15)17-9-11-19-20-17/h1-9,11H,10,12H2,(H,19,20)
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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 incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162343
PNG
(CHEMBL3792601)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1cccs1
Show InChI InChI=1S/C12H9N3O2S2/c1-6-8-10(16)13-5-14-12(8)19-9(6)11(17)15-7-3-2-4-18-7/h2-5H,1H3,(H,15,17)(H,13,14,16)
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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 incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162298
PNG
(CHEMBL3794152)
Show SMILES OC(=O)Cc1ccccc1C(=O)Nc1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C18H15N3O3/c22-17(23)11-13-3-1-2-4-15(13)18(24)20-14-7-5-12(6-8-14)16-9-10-19-21-16/h1-10H,11H2,(H,19,21)(H,20,24)(H,22,23)
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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 incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162300
PNG
(CHEMBL3794253)
Show SMILES NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C14H10Cl2N2O2/c15-11-6-3-9(7-12(11)16)14(20)18-10-4-1-8(2-5-10)13(17)19/h1-7H,(H2,17,19)(H,18,20)
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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 incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162295
PNG
(CHEMBL3793023)
Show SMILES O=C(Nc1cnc(nc1)-c1cc[nH]n1)c1ccccc1
Show InChI InChI=1S/C14H11N5O/c20-14(10-4-2-1-3-5-10)18-11-8-15-13(16-9-11)12-6-7-17-19-12/h1-9H,(H,17,19)(H,18,20)
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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 incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162299
PNG
(CHEMBL3792624)
Show SMILES O=C(Nc1ccc(cc1)-c1cc[nH]n1)c1ccccc1
Show InChI InChI=1S/C16H13N3O/c20-16(13-4-2-1-3-5-13)18-14-8-6-12(7-9-14)15-10-11-17-19-15/h1-11H,(H,17,19)(H,18,20)
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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 incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162484
PNG
(CHEMBL3794351)
Show SMILES Cc1c(sc2ncn(C)c(=O)c12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H13N3O2S/c1-9-11-14(16-8-18(2)15(11)20)21-12(9)13(19)17-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,17,19)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162489
PNG
(CHEMBL3794557)
Show SMILES CC(C)C(Sc1ncnc2ccccc12)C(O)=O
Show InChI InChI=1S/C13H14N2O2S/c1-8(2)11(13(16)17)18-12-9-5-3-4-6-10(9)14-7-15-12/h3-8,11H,1-2H3,(H,16,17)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162483
PNG
(CHEMBL1478592)
Show SMILES Cc1c(sc2ncnc(O)c12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H11N3O2S/c1-8-10-12(18)15-7-16-14(10)20-11(8)13(19)17-9-5-3-2-4-6-9/h2-7H,1H3,(H,17,19)(H,15,16,18)
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162306
PNG
(CHEMBL3793575)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccccc1CO
Show InChI InChI=1S/C15H13N3O3S/c1-8-11-13(20)16-7-17-15(11)22-12(8)14(21)18-10-5-3-2-4-9(10)6-19/h2-5,7,19H,6H2,1H3,(H,18,21)(H,16,17,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162305
PNG
(CHEMBL3792976)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C14H12N4O4S2/c1-7-10-12(19)16-6-17-14(10)23-11(7)13(20)18-8-4-2-3-5-9(8)24(15,21)22/h2-6H,1H3,(H,18,20)(H2,15,21,22)(H,16,17,19)
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n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162296
PNG
(CHEMBL3792431)
Show SMILES NC(=O)c1ccc(cc1)N1CCc2ccccc2C1=O
Show InChI InChI=1S/C16H14N2O2/c17-15(19)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-14(11)16(18)20/h1-8H,9-10H2,(H2,17,19)
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118630
PNG
(CHEMBL3617090)
Show SMILES O=c1cc(Cc2ccccc2)[nH]c2c(cnn12)C#N
Show InChI InChI=1S/C14H10N4O/c15-8-11-9-16-18-13(19)7-12(17-14(11)18)6-10-4-2-1-3-5-10/h1-5,7,9,17H,6H2
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n/an/a 2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162297
PNG
(CHEMBL3794554)
Show SMILES NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H12N2O2/c15-13(17)10-6-8-12(9-7-10)16-14(18)11-4-2-1-3-5-11/h1-9H,(H2,15,17)(H,16,18)
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n/an/a 5.01E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162478
PNG
(CHEMBL1450511)
Show SMILES Cc1c(sc2ncnc(O)c12)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C15H13N3O2S/c1-8-5-3-4-6-10(8)18-14(20)12-9(2)11-13(19)16-7-17-15(11)21-12/h3-7H,1-2H3,(H,18,20)(H,16,17,19)
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n/an/a 5.01E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162485
PNG
(CHEMBL1965658)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C8H6N2O3S/c1-3-4-6(11)9-2-10-7(4)14-5(3)8(12)13/h2H,1H3,(H,12,13)(H,9,10,11)
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n/an/a 5.01E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162481
PNG
(CHEMBL3792974)
Show SMILES Cc1c(sc2ncn(C)c(=O)c12)C(=O)NC1CCCC1
Show InChI InChI=1S/C14H17N3O2S/c1-8-10-13(15-7-17(2)14(10)19)20-11(8)12(18)16-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H,16,18)
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n/an/a<6.31E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162460
PNG
(CHEMBL3794452)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C15H13N3O2S/c1-8-3-5-10(6-4-8)18-14(20)12-9(2)11-13(19)16-7-17-15(11)21-12/h3-7H,1-2H3,(H,18,20)(H,16,17,19)
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n/an/a<6.31E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162455
PNG
(CHEMBL3794516)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccon1
Show InChI InChI=1S/C11H8N4O3S/c1-5-7-9(16)12-4-13-11(7)19-8(5)10(17)14-6-2-3-18-15-6/h2-4H,1H3,(H,12,13,16)(H,14,15,17)
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n/an/a<6.31E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162320
PNG
(CHEMBL3793462)
Show SMILES CCOC(=O)Cc1ccccc1NC(=O)c1sc2nc[nH]c(=O)c2c1C
Show InChI InChI=1S/C18H17N3O4S/c1-3-25-13(22)8-11-6-4-5-7-12(11)21-17(24)15-10(2)14-16(23)19-9-20-18(14)26-15/h4-7,9H,3,8H2,1-2H3,(H,21,24)(H,19,20,23)
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n/an/a<6.31E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162304
PNG
(CHEMBL3794537)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C15H13N3O4S2/c1-8-11-13(19)16-7-17-15(11)23-12(8)14(20)18-9-5-3-4-6-10(9)24(2,21)22/h3-7H,1-2H3,(H,18,20)(H,16,17,19)
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n/an/a<6.31E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162468
PNG
(CHEMBL3794063)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C15H13N3O2S/c1-8-4-3-5-10(6-8)18-14(20)12-9(2)11-13(19)16-7-17-15(11)21-12/h3-7H,1-2H3,(H,18,20)(H,16,17,19)
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n/an/a<6.31E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162498
PNG
(CHEMBL1578072)
Show SMILES Cc1c(sc2ncn(C)c(=O)c12)C(O)=O
Show InChI InChI=1S/C9H8N2O3S/c1-4-5-7(15-6(4)9(13)14)10-3-11(2)8(5)12/h3H,1-2H3,(H,13,14)
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n/an/a 6.31E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162492
PNG
(CHEMBL3793379)
Show SMILES Nc1ccc(Oc2ccccc2)nn1
Show InChI InChI=1S/C10H9N3O/c11-9-6-7-10(13-12-9)14-8-4-2-1-3-5-8/h1-7H,(H2,11,12)
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n/an/a 1.26E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162486
PNG
(CHEMBL3794311)
Show SMILES NC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C13H11NO/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H2,14,15)
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n/an/a 1.58E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162488
PNG
(CHEMBL3792651)
Show SMILES NC(=O)c1sccc1-c1ccccc1
Show InChI InChI=1S/C11H9NOS/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13)
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n/an/a 1.58E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162302
PNG
(CHEMBL3793157)
Show SMILES CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H13NO3S/c1-19(17,18)13-10-6-5-9-12(13)14(16)15-11-7-3-2-4-8-11/h2-10H,1H3,(H,15,16)
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n/an/a 2.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162456
PNG
(CHEMBL3793494)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C13H10N4O2S/c1-7-9-11(18)15-6-16-13(9)20-10(7)12(19)17-8-3-2-4-14-5-8/h2-6H,1H3,(H,17,19)(H,15,16,18)
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n/an/a 2.51E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162301
PNG
(CHEMBL3792724)
Show SMILES OC(=O)Cc1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(18)10-11-6-4-5-9-13(11)15(19)16-12-7-2-1-3-8-12/h1-9H,10H2,(H,16,19)(H,17,18)
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n/an/a 3.16E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118631
PNG
(CHEMBL3617089)
Show SMILES CCOc1nn2c([nH]c(C)cc2=O)c1C#N
Show InChI InChI=1S/C10H10N4O2/c1-3-16-10-7(5-11)9-12-6(2)4-8(15)14(9)13-10/h4,12H,3H2,1-2H3
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n/an/a 5.01E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162303
PNG
(N-PHENYLBENZAMIDE | N-Phenyl-Benzamide | N-Phenylb...)
Show SMILES O=C(Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
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n/an/a<6.31E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162480
PNG
(CHEMBL3793200)
Show SMILES Cc1c(sc2ncn(C)c(=O)c12)C(=O)N1CCCCC1
Show InChI InChI=1S/C14H17N3O2S/c1-9-10-12(15-8-16(2)13(10)18)20-11(9)14(19)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3
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n/an/a<6.31E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118629
PNG
(CHEMBL3617091)
Show SMILES CCc1cc(=O)n2nc(C)c(C#N)c2[nH]1
Show InChI InChI=1S/C10H10N4O/c1-3-7-4-9(15)14-10(12-7)8(5-11)6(2)13-14/h4,12H,3H2,1-2H3
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n/an/a<6.31E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162493
PNG
(CHEMBL3794331)
Show SMILES NC(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C9H12N2O2/c10-9(13)11-6-8(12)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H3,10,11,13)
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n/an/a 7.94E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162499
PNG
(CHEMBL3793205)
Show SMILES O=C(Nc1cncnc1)c1ccccc1
Show InChI InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15)
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n/an/a 1.00E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162497
PNG
(CHEMBL3793258)
Show SMILES OCC(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C12H15NO2/c14-8-12(15)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11,14H,3,5,7-8H2,(H,13,15)
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n/an/a<1.26E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162496
PNG
(CHEMBL3793003)
Show SMILES CC1CNc2c(C1)cccc2S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)
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n/an/a<1.26E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162495
PNG
(CHEMBL3792472)
Show SMILES OC(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
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n/an/a<1.26E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50162494
PNG
(CHEMBL3792871)
Show SMILES OCc1ccc2nsnc2c1
Show InChI InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2
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n/an/a<1.26E+6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis


J Med Chem 59: 2452-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01607
BindingDB Entry DOI: 10.7270/Q2GQ70NC
More data for this
Ligand-Target Pair