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PubMed code 21840712

Compile data set for download or QSAR
Found 7 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, cytosolic


(Homo sapiens (Human))
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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MMDB
PDB
Article
PubMed
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...


Bioorg Med Chem Lett 21: 5248-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.039
BindingDB Entry DOI: 10.7270/Q2CR5TR9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
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...


Bioorg Med Chem Lett 21: 5248-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.039
BindingDB Entry DOI: 10.7270/Q2CR5TR9
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
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...


Bioorg Med Chem Lett 21: 5248-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.039
BindingDB Entry DOI: 10.7270/Q2CR5TR9
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
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...


Bioorg Med Chem Lett 21: 5248-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.039
BindingDB Entry DOI: 10.7270/Q2CR5TR9
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
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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PubMed
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...


Bioorg Med Chem Lett 21: 5248-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.039
BindingDB Entry DOI: 10.7270/Q2CR5TR9
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
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...


Bioorg Med Chem Lett 21: 5248-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.039
BindingDB Entry DOI: 10.7270/Q2CR5TR9
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
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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PubMed
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...


Bioorg Med Chem Lett 21: 5248-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.039
BindingDB Entry DOI: 10.7270/Q2CR5TR9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%