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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50107130'   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50107130
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
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Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay


Bioorg Med Chem 23: 1747-57 (2015)


Article DOI: 10.1016/j.bmc.2015.02.060
BindingDB Entry DOI: 10.7270/Q2F191D6
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50107130
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
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Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of succinimidyl Oregon Green-labeled Bak-BH3 peptide binding to GST-tagged Bcl-XL (unknown origin) expressed in human Jurkat cells after 1...


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.11.023
BindingDB Entry DOI: 10.7270/Q21J9DCR
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50107130
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
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Article
PubMed
8.70E+3n/an/an/an/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-XL by isothermal titration calorimetry


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50107130
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
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Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled Bak-BH3 peptide from human Bcl-XL by fluorescence polarization assay


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair