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Compile Data Set for Download or QSAR

Found 19 hits from A*STAR   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-xL/BAK


(Homo sapiens)
BDBM25537
PNG
(4-(2-hydroxyethyl)-8-methyl-12,14-dioxa-8-azatetra...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2cc(CCO)ccc12
Show InChI InChI=1S/C17H16NO3/c1-18-9-14-12(3-5-16-17(14)21-10-20-16)13-8-11(6-7-19)2-4-15(13)18/h2-5,8-9,19H,6-7,10H2,1H3/q+1
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PubMed
n/an/a 3.00E+3n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25539
PNG
(4-(2-methoxyethyl)-8-methyl-12,14-dioxa-8-azatetra...)
Show SMILES COCCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1
Show InChI InChI=1S/C18H18NO3/c1-19-10-15-13(4-6-17-18(15)22-11-21-17)14-9-12(7-8-20-2)3-5-16(14)19/h3-6,9-10H,7-8,11H2,1-2H3/q+1
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n/an/a 6.00E+3n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25538
PNG
(4-(methoxymethyl)-8-methyl-12,14-dioxa-8-azatetrac...)
Show SMILES COCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1
Show InChI InChI=1S/C17H16NO3/c1-18-8-14-12(4-6-16-17(14)21-10-20-16)13-7-11(9-19-2)3-5-15(13)18/h3-8H,9-10H2,1-2H3/q+1
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n/an/a 1.10E+4n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25536
PNG
(4-(hydroxymethyl)-8-methyl-12,14-dioxa-8-azatetrac...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2cc(CO)ccc12
Show InChI InChI=1S/C16H14NO3/c1-17-7-13-11(3-5-15-16(13)20-9-19-15)12-6-10(8-18)2-4-14(12)17/h2-7,18H,8-9H2,1H3/q+1
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n/an/a 1.10E+4n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25530
PNG
(8-methyl-12,14-dioxa-8-azatetracyclo[8.7.0.0^{2,7}...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccccc12
Show InChI InChI=1S/C15H12NO2/c1-16-8-12-10(11-4-2-3-5-13(11)16)6-7-14-15(12)18-9-17-14/h2-8H,9H2,1H3/q+1
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n/an/a 1.20E+4n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25540
PNG
(7,8-dihydroxy-5-methylphenanthridin-5-ium chloride...)
Show SMILES Cn1cc2c(ccc(O)c2=[OH+])c2ccccc12
Show InChI InChI=1S/C14H11NO2/c1-15-8-11-9(6-7-13(16)14(11)17)10-4-2-3-5-12(10)15/h2-8,16H,1H3/p+1
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n/an/a 1.80E+4n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 1.90E+4n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25541
PNG
(7,8-dihydroxy-2-(hydroxymethyl)-5-methylphenanthri...)
Show SMILES Cn1cc2c(ccc(O)c2=[OH+])c2cc(CO)ccc12
Show InChI InChI=1S/C15H13NO3/c1-16-7-12-10(3-5-14(18)15(12)19)11-6-9(8-17)2-4-13(11)16/h2-7,17-18H,8H2,1H3/p+1
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n/an/a 2.00E+4n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25542
PNG
(7,8-dihydroxy-2-(2-hydroxyethyl)-5-methylphenanthr...)
Show SMILES Cn1cc2c(ccc(O)c2=[OH+])c2cc(CCO)ccc12
Show InChI InChI=1S/C16H15NO3/c1-17-9-13-11(3-5-15(19)16(13)20)12-8-10(6-7-18)2-4-14(12)17/h2-5,8-9,18-19H,6-7H2,1H3/p+1
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n/an/a 2.20E+4n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25533
PNG
(8-oxido-12,14-dioxa-8-azatetracyclo[8.7.0.0^{2,7}....)
Show SMILES [O-][n+]1cc2c3OCOc3ccc2c2ccccc12
Show InChI InChI=1S/C14H9NO3/c16-15-7-11-9(10-3-1-2-4-12(10)15)5-6-13-14(11)18-8-17-13/h1-7H,8H2
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n/an/a>1.00E+5n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25534
PNG
(13,13-dimethyl-8-oxido-12,14-dioxa-8-azatetracyclo...)
Show SMILES CC1(C)Oc2ccc3c(c[n+]([O-])c4ccccc34)c2O1
Show InChI InChI=1S/C16H13NO3/c1-16(2)19-14-8-7-10-11-5-3-4-6-13(11)17(18)9-12(10)15(14)20-16/h3-9H,1-2H3
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n/an/a>1.00E+5n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25535
PNG
(2-(hydroxymethyl)-7,8-dimethoxy-5-methylphenanthri...)
Show SMILES COc1ccc2c(c[n+](C)c3ccc(CO)cc23)c1OC
Show InChI InChI=1S/C17H18NO3/c1-18-9-14-12(5-7-16(20-2)17(14)21-3)13-8-11(10-19)4-6-15(13)18/h4-9,19H,10H2,1-3H3/q+1
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n/an/a>1.00E+5n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25529
PNG
(7,8-dimethoxy-5-methylphenanthridin-5-ium iodide |...)
Show SMILES COc1ccc2c(c[n+](C)c3ccccc23)c1OC
Show InChI InChI=1S/C16H16NO2/c1-17-10-13-11(12-6-4-5-7-14(12)17)8-9-15(18-2)16(13)19-3/h4-10H,1-3H3/q+1
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n/an/a>1.00E+5n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25531
PNG
(8,13,13-trimethyl-12,14-dioxa-8-azatetracyclo[8.7....)
Show SMILES C[n+]1cc2c3OC(C)(C)Oc3ccc2c2ccccc12
Show InChI InChI=1S/C17H16NO2/c1-17(2)19-15-9-8-11-12-6-4-5-7-14(12)18(3)10-13(11)16(15)20-17/h4-10H,1-3H3/q+1
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n/an/a>1.00E+5n/an/an/an/a8.022



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Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25527
PNG
(12,14-dioxa-8-azatetracyclo[8.7.0.0^{2,7}.0^{11,15...)
Show SMILES C1Oc2ccc3c(cnc4ccccc34)c2O1
Show InChI InChI=1S/C14H9NO2/c1-2-4-12-10(3-1)9-5-6-13-14(17-8-16-13)11(9)7-15-12/h1-7H,8H2
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n/an/a>1.00E+5n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25526
PNG
(7,8-dimethoxyphenanthridine | chelerythrine analog...)
Show SMILES COc1ccc2c(cnc3ccccc23)c1OC
Show InChI InChI=1S/C15H13NO2/c1-17-14-8-7-10-11-5-3-4-6-13(11)16-9-12(10)15(14)18-2/h3-9H,1-2H3
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n/an/a>1.00E+5n/an/an/an/a8.022



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Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25524
PNG
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
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n/an/a 1.00E+5n/an/an/an/a8.022



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Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25532
PNG
(7,8-dimethoxy-5-oxidophenanthridin-5-ium | chelery...)
Show SMILES COc1ccc2c(c[n+]([O-])c3ccccc23)c1OC
Show InChI InChI=1S/C15H13NO3/c1-18-14-8-7-10-11-5-3-4-6-13(11)16(17)9-12(10)15(14)19-2/h3-9H,1-2H3
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Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM25528
PNG
(13,13-dimethyl-12,14-dioxa-8-azatetracyclo[8.7.0.0...)
Show SMILES CC1(C)Oc2ccc3c(cnc4ccccc34)c2O1
Show InChI InChI=1S/C16H13NO2/c1-16(2)18-14-8-7-10-11-5-3-4-6-13(11)17-9-12(10)15(14)19-16/h3-9H,1-2H3
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n/an/a>1.00E+5n/an/an/an/a8.022



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Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair