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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with Target = 'Branched-chain-amino-acid transferase' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Branched-chain-amino-acid transferase


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

More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50353005
PNG
(CHEMBL1231666)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2o1
Show InChI InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23)
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n/an/a 230n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged BCATc expressed in Escherichia coli BL21 (DE3) after 50 mins using [13C]-L-leucine as substrate by N...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50118522
PNG
(CHEMBL3617078)
Show SMILES CCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1
Show InChI InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,23H,2-3,8H2,1H3,(H,22,24)
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n/an/a 251n/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)

More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172933
PNG
(5-chloro-N'-(2-(trifluoromethyl)phenylsulfonyl)-1H...)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C16H11ClF3N3O3S/c17-10-5-6-12-9(7-10)8-13(21-12)15(24)22-23-27(25,26)14-4-2-1-3-11(14)16(18,19)20/h1-8,21,23H,(H,22,24)
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n/an/a 800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172943
PNG
(5-chloro-N'-(o-tolylsulfonyl)-1H-indole-2-carbohyd...)
Show SMILES Cc1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C16H14ClN3O3S/c1-10-4-2-3-5-15(10)24(22,23)20-19-16(21)14-9-11-8-12(17)6-7-13(11)18-14/h2-9,18,20H,1H3,(H,19,21)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172934
PNG
(5-chloro-N'-(m-tolylsulfonyl)-1H-indole-2-carbohyd...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C16H14ClN3O3S/c1-10-3-2-4-13(7-10)24(22,23)20-19-16(21)15-9-11-8-12(17)5-6-14(11)18-15/h2-9,18,20H,1H3,(H,19,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172945
PNG
(CHEMBL205902 | N'-(phenylsulfonyl)dibenzo[b,d]fura...)
Show SMILES O=C(NNS(=O)(=O)c1ccccc1)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C19H14N2O4S/c22-19(20-21-26(23,24)14-6-2-1-3-7-14)13-10-11-18-16(12-13)15-8-4-5-9-17(15)25-18/h1-12,21H,(H,20,22)
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n/an/a 2.35E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172944
PNG
(5-bromo-N'-(phenylsulfonyl)benzofuran-2-carbohydra...)
Show SMILES Brc1ccc2oc(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11BrN2O4S/c16-11-6-7-13-10(8-11)9-14(22-13)15(19)17-18-23(20,21)12-4-2-1-3-5-12/h1-9,18H,(H,17,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172940
PNG
(CHEMBL437702 | N'-[(3-methylphenyl)sulfonyl]dibenz...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NNC(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C20H16N2O4S/c1-13-5-4-6-15(11-13)27(24,25)22-21-20(23)14-9-10-19-17(12-14)16-7-2-3-8-18(16)26-19/h2-12,22H,1H3,(H,21,23)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172931
PNG
(CHEMBL205475 | N'-[(2-methylphenyl)sulfonyl]dibenz...)
Show SMILES Cc1ccccc1S(=O)(=O)NNC(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C20H16N2O4S/c1-13-6-2-5-9-19(13)27(24,25)22-21-20(23)14-10-11-18-16(12-14)15-7-3-4-8-17(15)26-18/h2-12,22H,1H3,(H,21,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172942
PNG
(5-chloro-N'-(phenylsulfonyl)benzofuran-2-carbohydr...)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O4S/c16-11-6-7-13-10(8-11)9-14(22-13)15(19)17-18-23(20,21)12-4-2-1-3-5-12/h1-9,18H,(H,17,19)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172932
PNG
(5-chloro-N'-(2-chlorophenylsulfonyl)-1H-indole-2-c...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H11Cl2N3O3S/c16-10-5-6-12-9(7-10)8-13(18-12)15(21)19-20-24(22,23)14-4-2-1-3-11(14)17/h1-8,18,20H,(H,19,21)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172947
PNG
(5-methoxy-N'-(phenylsulfonyl)benzofuran-2-carbohyd...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H14N2O5S/c1-22-12-7-8-14-11(9-12)10-15(23-14)16(19)17-18-24(20,21)13-5-3-2-4-6-13/h2-10,18H,1H3,(H,17,19)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172930
PNG
(CHEMBL379025 | N'-[(2-chlorophenyl)sulfonyl]dibenz...)
Show SMILES Clc1ccccc1S(=O)(=O)NNC(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C19H13ClN2O4S/c20-15-6-2-4-8-18(15)27(24,25)22-21-19(23)12-9-10-17-14(11-12)13-5-1-3-7-16(13)26-17/h1-11,22H,(H,21,23)
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n/an/a 1.29E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172936
PNG
(CHEMBL437697 | N'-(phenylsulfonyl)quinoline-6-carb...)
Show SMILES O=C(NNS(=O)(=O)c1ccccc1)c1ccc2ncccc2c1
Show InChI InChI=1S/C16H13N3O3S/c20-16(13-8-9-15-12(11-13)5-4-10-17-15)18-19-23(21,22)14-6-2-1-3-7-14/h1-11,19H,(H,18,20)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172937
PNG
(5-bromo-N'-(phenylsulfonyl)-1H-indole-2-carbohydra...)
Show SMILES Brc1ccc2[nH]c(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H12BrN3O3S/c16-11-6-7-13-10(8-11)9-14(17-13)15(20)18-19-23(21,22)12-4-2-1-3-5-12/h1-9,17,19H,(H,18,20)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50353006
PNG
(CHEMBL1825195)
Show SMILES Fc1cccc(-c2oncc2C#N)c1F
Show InChI InChI=1S/C10H4F2N2O/c11-8-3-1-2-7(9(8)12)10-6(4-13)5-14-15-10/h1-3,5H
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n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged BCATc expressed in Escherichia coli BL21 (DE3) after 50 mins using [13C]-L-leucine as substrate by N...


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172929
PNG
(CHEMBL205220 | N'-(phenylsulfonyl)benzofuran-2-car...)
Show SMILES O=C(NNS(=O)(=O)c1ccccc1)c1cc2ccccc2o1
Show InChI InChI=1S/C15H12N2O4S/c18-15(14-10-11-6-4-5-9-13(11)21-14)16-17-22(19,20)12-7-2-1-3-8-12/h1-10,17H,(H,16,18)
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n/an/a 1.83E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172928
PNG
(CHEMBL382232 | N'-(phenylsulfonyl)quinoline-3-carb...)
Show SMILES O=C(NNS(=O)(=O)c1ccccc1)c1cnc2ccccc2c1
Show InChI InChI=1S/C16H13N3O3S/c20-16(13-10-12-6-4-5-9-15(12)17-11-13)18-19-23(21,22)14-7-2-1-3-8-14/h1-11,19H,(H,18,20)
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n/an/a 3.33E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172941
PNG
(CHEMBL205274 | N'-[(3-chlorophenyl)sulfonyl]dibenz...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NNC(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C19H13ClN2O4S/c20-13-4-3-5-14(11-13)27(24,25)22-21-19(23)12-8-9-18-16(10-12)15-6-1-2-7-17(15)26-18/h1-11,22H,(H,21,23)
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n/an/a>3.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172935
PNG
(CHEMBL207686 | N'-(phenylsulfonyl)-1H-indole-2-car...)
Show SMILES O=C(NNS(=O)(=O)c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H13N3O3S/c19-15(14-10-11-6-4-5-9-13(11)16-14)17-18-22(20,21)12-7-2-1-3-8-12/h1-10,16,18H,(H,17,19)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172946
PNG
(CHEMBL205044 | N'-[(4-chlorophenyl)sulfonyl]dibenz...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C19H13ClN2O4S/c20-13-6-8-14(9-7-13)27(24,25)22-21-19(23)12-5-10-18-16(11-12)15-3-1-2-4-17(15)26-18/h1-11,22H,(H,21,23)
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n/an/a 3.72E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50353007
PNG
(CHEMBL1825196)
Show SMILES CC(=O)NNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C8H10N2O3S/c1-7(11)9-10-14(12,13)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged BCATc expressed in Escherichia coli BL21 (DE3) after 50 mins using [13C]-L-leucine as substrate by N...


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172938
PNG
(CHEMBL380652 | N'-[(4-methylphenyl)sulfonyl]dibenz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C20H16N2O4S/c1-13-6-9-15(10-7-13)27(24,25)22-21-20(23)14-8-11-19-17(12-14)16-4-2-3-5-18(16)26-19/h2-12,22H,1H3,(H,21,23)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50172939
PNG
(5-methoxy-N'-(phenylsulfonyl)-1H-indole-2-carbohyd...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15N3O4S/c1-23-12-7-8-14-11(9-12)10-15(17-14)16(20)18-19-24(21,22)13-5-3-2-4-6-13/h2-10,17,19H,1H3,(H,18,20)
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n/an/a 5.68E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50353008
PNG
(CHEMBL1825197)
Show SMILES C#CCSc1nnc(o1)-c1cccs1
Show InChI InChI=1S/C9H6N2OS2/c1-2-5-14-9-11-10-8(12-9)7-4-3-6-13-7/h1,3-4,6H,5H2
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n/an/a 1.05E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged BCATc expressed in Escherichia coli BL21 (DE3) after 50 mins using [13C]-L-leucine as substrate by N...


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50353009
PNG
(CHEMBL1825198)
Show SMILES CN(C)\C=N\NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H13N3O2S/c1-12(2)8-10-11-15(13,14)9-6-4-3-5-7-9/h3-8,11H,1-2H3/b10-8+
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n/an/a 1.50E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged BCATc expressed in Escherichia coli BL21 (DE3) after 50 mins using [13C]-L-leucine as substrate by N...


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50353010
PNG
(CHEMBL1825199)
Show SMILES O=c1n(nc(C#N)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H9N3O/c16-10-14-12-8-4-5-9-13(12)15(19)18(17-14)11-6-2-1-3-7-11/h1-9H
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n/an/a 3.60E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged BCATc expressed in Escherichia coli BL21 (DE3) after 50 mins using [13C]-L-leucine as substrate by N...


Citation and Details
More data for this
Ligand-Target Pair
Branched-chain-amino-acid transferase


(Homo sapiens)
BDBM50353011
PNG
(CHEMBL1825200)
Show SMILES Clc1cc(=O)n(nc1C#N)-c1ccccc1
Show InChI InChI=1S/C11H6ClN3O/c12-9-6-11(16)15(14-10(9)7-13)8-4-2-1-3-5-8/h1-6H
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n/an/a 6.50E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged BCATc expressed in Escherichia coli BL21 (DE3) after 50 mins using [13C]-L-leucine as substrate by N...


Citation and Details
More data for this
Ligand-Target Pair