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Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'boullay' and Initial = 'ab'   
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
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271572
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(pyridin-4-yl)phen...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C23H22ClN3O/c24-22-7-5-21(6-8-22)23(28)27-15-13-26(14-16-27)17-18-1-3-19(4-2-18)20-9-11-25-12-10-20/h1-12H,13-17H2
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n/an/a 3n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271622
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(4-methylpiperazin...)
Show SMILES CN1CCN(CC1)c1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H29ClN4O2S/c1-24-10-14-26(15-11-24)21-6-2-19(3-7-21)18-25-12-16-27(17-13-25)30(28,29)22-8-4-20(23)5-9-22/h2-9H,10-18H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271571
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(pyridin-4-yl)phen...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C22H22ClN3O2S/c23-21-5-7-22(8-6-21)29(27,28)26-15-13-25(14-16-26)17-18-1-3-19(4-2-18)20-9-11-24-12-10-20/h1-12H,13-17H2
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n/an/a 13n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118637
PNG
(CHEMBL3617084)
Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r|
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/a 15.5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated H4 peptide from human Brd4 bromodomain BD12 after 1 hr by FRET analysis


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118524
PNG
(CHEMBL3617080)
Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r|
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271621
PNG
(1-[4-(Trifluoromethoxy)phenylcarbonyl]-4-[4-(dimet...)
Show SMILES CN(C)Cc1ccc(CN2CCN(CC2)C(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H26F3N3O2/c1-26(2)15-17-3-5-18(6-4-17)16-27-11-13-28(14-12-27)21(29)19-7-9-20(10-8-19)30-22(23,24)25/h3-10H,11-16H2,1-2H3
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271529
PNG
(CHEMBL483314 | N-[2-(4-(4-Dimethylaminomethylpheny...)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CCNS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C24H25N3O2S/c1-27(2)18-21-5-11-23(12-6-21)22-9-3-19(4-10-22)15-16-26-30(28,29)24-13-7-20(17-25)8-14-24/h3-14,26H,15-16,18H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/a 28.4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated H4 peptide from human Brd3 bromodomain BD12 after 1 hr by FRET analysis


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/a 29.9n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated H4 peptide from human Brd2 bromodomain BD12 after 1 hr by FRET analysis


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271620
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H26ClN3O2S/c1-22(2)15-17-3-5-18(6-4-17)16-23-11-13-24(14-12-23)27(25,26)20-9-7-19(21)8-10-20/h3-10H,11-16H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271623
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(imidazol-1-yl)phe...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C21H21ClN4O/c22-19-5-3-18(4-6-19)21(27)25-13-11-24(12-14-25)15-17-1-7-20(8-2-17)26-10-9-23-16-26/h1-10,16H,11-15H2
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n/an/a 32n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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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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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/a 32.5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated H4 peptide from human Brd2 bromodomain BD12 after 1 hr by FRET analysis


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/a 36.1n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated H4 peptide from human Brd4 bromodomain BD12 after 1 hr by FRET analysis


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271619
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(dimethylaminometh...)
Show SMILES CN(C)Cc1ccc(CN2CCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClN3O/c1-23(2)15-17-3-5-18(6-4-17)16-24-11-13-25(14-12-24)21(26)19-7-9-20(22)10-8-19/h3-10H,11-16H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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 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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/a 42.4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of tetra-acetylated H4 peptide from human Brd3 bromodomain BD12 after 1 hr by FRET analysis


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
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=1/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+/s2
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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)


BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
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=1/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+/s2
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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)


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))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118637
PNG
(CHEMBL3617084)
Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r|
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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 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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50118524
PNG
(CHEMBL3617080)
Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50271530
PNG
(CHEMBL483918 | N-[2-(4-(4-((Pyrolidin-1-yl)methyl)...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)-c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C25H27ClN2O2S/c26-24-11-13-25(14-12-24)31(29,30)27-16-15-20-3-7-22(8-4-20)23-9-5-21(6-10-23)19-28-17-1-2-18-28/h3-14,27H,1-2,15-19H2
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n/an/a 63n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)


Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens (Human))
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 63n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BCATc (unknown origin)


J Med Chem 58: 7140-63 (2015)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
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=1/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+/s2
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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)


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=1/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+/s2
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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)


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=1/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+/s2
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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)


BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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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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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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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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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
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=1/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+/s2
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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)


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))
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=1/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+/s2
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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)


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=1/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+/s2
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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)


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=1/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+/s2
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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)


BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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 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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2T43VWK
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=1/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+/s2
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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)


BindingDB Entry DOI: 10.7270/Q2W097V6
More data for this
Ligand-Target Pair
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