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PubMed code 25452002

Compile data set for download or QSAR
Found 9 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
Bcl-xL/BAK


(Homo sapiens)
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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PubMed
4.70E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 2 hrs by fluoresce...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50036202
PNG
(CHEMBL3358689)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClO3/c24-21-12-6-16(7-13-21)14-20(23(26)27)15-22(25)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-13,17,20H,1-5,14-15H2,(H,26,27)
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PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 30 to 120 mins by TR...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRET...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRE...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 30 to 120 mins by TR...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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PubMed
1.40E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescen...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50036202
PNG
(CHEMBL3358689)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClO3/c24-21-12-6-16(7-13-21)14-20(23(26)27)15-22(25)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-13,17,20H,1-5,14-15H2,(H,26,27)
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PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRET...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 30 mins by TR-FRET...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50036201
PNG
(CHEMBL3358688)
Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)
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PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRE...


Bioorg Med Chem Lett 24: 5836-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.073
BindingDB Entry DOI: 10.7270/Q2C82BWB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%