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PubMed code 23220642

Compile data set for download or QSAR
Found 30 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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50214871
PNG
(1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...)
Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O
Show InChI InChI=1S/C34H34O10/c1-13(2)11-19-25(35)31(41)29(39)23-27(37)21(15(5)43-33(19)23)17-7-9-18(10-8-17)22-16(6)44-34-20(12-14(3)4)26(36)32(42)30(40)24(34)28(22)38/h7-10,13-14,35-36,39-42H,11-12H2,1-6H3
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18n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50428721
PNG
(CHEMBL2333155)
Show SMILES CCCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C41H42ClN5O5S2/c1-2-8-34(29-53-36-10-4-3-5-11-36)43-39-22-21-37(27-40(39)47(49)50)54(51,52)44-41(48)31-15-19-35(20-16-31)46-25-23-45(24-26-46)28-32-9-6-7-12-38(32)30-13-17-33(42)18-14-30/h3-7,9-22,27,34,43H,2,8,23-26,28-29H2,1H3,(H,44,48)
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21n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL (unknown origin)


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50371611
PNG
(CHEMBL258819)
Show SMILES Oc1c(O)c(cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H17NO6S/c29-22(15-10-12-17(13-11-15)34-16-6-2-1-3-7-16)18-14-19(24(31)26(33)23(18)30)25(32)27-28-20-8-4-5-9-21(20)35-27/h1-14,30-31,33H
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37n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50371613
PNG
(CHEMBL259033)
Show SMILES CC(C)C(=O)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
Show InChI InChI=1S/C23H20O6/c1-13(2)19(24)17-12-18(22(27)23(28)21(17)26)20(25)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-13,26-28H,1-2H3
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340n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50371615
PNG
(CHEMBL270268)
Show SMILES CC(C)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
Show InChI InChI=1S/C22H20O5/c1-13(2)17-12-18(21(25)22(26)20(17)24)19(23)14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-13,24-26H,1-2H3
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380n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50214872
PNG
(5,6,7-trihydroxy-8-isobutyl-2-methyl-3-phenyl-chro...)
Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C20H20O5/c1-10(2)9-13-16(21)19(24)18(23)15-17(22)14(11(3)25-20(13)15)12-7-5-4-6-8-12/h4-8,10,21,23-24H,9H2,1-3H3
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400n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50428720
PNG
(CHEMBL2333140)
Show SMILES NC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H13ClN2O4S/c21-13-6-8-14(9-7-13)28-18-10-5-12(11-17(18)23(26)27)19(24)15-3-1-2-4-16(15)20(22)25/h1-11H,(H2,22,25)
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500n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL (unknown origin)


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50214870
PNG
(5,6,7-trihydroxy-8-isobutyl-2-methyl-4H-chromen-4-...)
Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)cc2=O
Show InChI InChI=1S/C14H16O5/c1-6(2)4-8-11(16)13(18)12(17)10-9(15)5-7(3)19-14(8)10/h5-6,16-18H,4H2,1-3H3
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1.69E+3n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50428722
PNG
(CHEMBL2333154)
Show SMILES Oc1c(Br)cc(Cl)cc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H11BrCl3NO4S/c20-15-8-11(22)7-14(18(15)25)19(26)24-17-9-13(5-6-16(17)23)29(27,28)12-3-1-10(21)2-4-12/h1-9,25H,(H,24,26)
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4.10E+3n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL (unknown origin)


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50371614
PNG
(CHEMBL269836)
Show SMILES CC(C)c1cc(C(=O)c2ccccc2)c(O)c(O)c1O
Show InChI InChI=1S/C16H16O4/c1-9(2)11-8-12(15(19)16(20)14(11)18)13(17)10-6-4-3-5-7-10/h3-9,18-20H,1-2H3
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4.60E+3n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50428723
PNG
(CHEMBL2333153)
Show SMILES COC1=CC(=N\C1=C\c1[nH]cc(C)c1C)c1cc2ccccc2[nH]1 |c:4,t:2|
Show InChI InChI=1S/C20H19N3O/c1-12-11-21-16(13(12)2)9-19-20(24-3)10-18(23-19)17-8-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-9+
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4.69E+3n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL (unknown origin)


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM85273
PNG
(BI-21C5)
Show SMILES Oc1ccccc1-c1cc(-c2ccc3OCOc3c2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C19H12N2O4/c20-9-14-13(11-5-6-17-18(7-11)25-10-24-17)8-15(21-19(14)23)12-3-1-2-4-16(12)22/h1-8,22H,10H2,(H,21,23)
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5.10E+3n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL (unknown origin)


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428734
PNG
(CHEMBL1927339)
Show SMILES NC(=O)C(=C\c1ccccc1)\C#N
Show InChI InChI=1S/C10H8N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)/b9-6+
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n/an/an/a 2.21E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428735
PNG
(CHEMBL2333142 | Cyanoacetamide)
Show SMILES NC(=O)CC#N
Show InChI InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
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n/an/an/a 1.35E+4n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428729
PNG
(CHEMBL2333147)
Show SMILES O=C(CC#N)NCc1ccccc1
Show InChI InChI=1S/C10H10N2O/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,12,13)
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n/an/an/a 1.58E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428732
PNG
(CHEMBL2333144)
Show SMILES CNC(=O)CC#N
Show InChI InChI=1S/C4H6N2O/c1-6-4(7)2-3-5/h2H2,1H3,(H,6,7)
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n/an/an/a 8.27E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50345445
PNG
(8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile |...)
Show SMILES O=c1nc2c3cccc4cccc(c2c1C#N)c34
Show InChI InChI=1S/C15H6N2O/c16-7-11-13-9-5-1-3-8-4-2-6-10(12(8)9)14(13)17-15(11)18/h1-6H
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n/an/an/a 1.83E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428728
PNG
(CHEMBL2333148)
Show SMILES O=C(NCc1ccccc1)C(=C\C=C\c1ccccc1)\C#N
Show InChI InChI=1S/C19H16N2O/c20-14-18(13-7-12-16-8-3-1-4-9-16)19(22)21-15-17-10-5-2-6-11-17/h1-13H,15H2,(H,21,22)/b12-7+,18-13+
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n/an/an/a 160n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428724
PNG
(CHEMBL2333152)
Show SMILES [#6]-[#6]C([#6])([#6])c1ccc(-[#8]-c2ccc3\[#6](=[#6](/C#N)C#N)-[#6](=O)-c4cccc2c34)cc1
Show InChI InChI=1S/C26H20N2O2/c1-4-26(2,3)17-8-10-18(11-9-17)30-22-13-12-20-23(16(14-27)15-28)25(29)21-7-5-6-19(22)24(20)21/h5-13H,4H2,1-3H3
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n/an/an/a 1.45E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428730
PNG
(CHEMBL2333146)
Show SMILES CCCNC(=O)CC#N
Show InChI InChI=1S/C6H10N2O/c1-2-5-8-6(9)3-4-7/h2-3,5H2,1H3,(H,8,9)
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n/an/an/a 4.28E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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n/an/an/a 960n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM22853
PNG
(1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...)
Show SMILES O=c1c2cccc3cccc(c23)c1=O
Show InChI InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
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n/an/an/a 3.25E+5n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50425963
PNG
(CHEMBL2314369)
Show SMILES O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23
Show InChI InChI=1S/C15H6N2O/c16-7-10(8-17)14-11-5-1-3-9-4-2-6-12(13(9)11)15(14)18/h1-6H
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n/an/an/a 5.23E+4n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428731
PNG
(CHEMBL2333145)
Show SMILES CCNC(=O)CC#N
Show InChI InChI=1S/C5H8N2O/c1-2-7-5(8)3-4-6/h2-3H2,1H3,(H,7,8)
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n/an/an/a 6.65E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428726
PNG
(CHEMBL2333150)
Show SMILES [#6]-[#8]-c1ccc(-[#8]-c2ccc3\[#6](=[#6](/C#N)C#N)-[#6](=O)-c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O3/c1-26-14-5-7-15(8-6-14)27-19-10-9-17-20(13(11-23)12-24)22(25)18-4-2-3-16(19)21(17)18/h2-10H,1H3
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n/an/an/a 4.93E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428736
PNG
(CHEMBL2333141 | Thiomorpholine)
Show SMILES C1CSCCN1
Show InChI InChI=1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2
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n/an/an/a>1.00E+6n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428727
PNG
(CHEMBL2333149)
Show SMILES Clc1ccc(-[#8]-c2ccc3\[#6](=[#6](/C#N)C#N)-[#6](=O)-c4cccc2c34)cc1
Show InChI InChI=1S/C21H9ClN2O2/c22-13-4-6-14(7-5-13)26-18-9-8-16-19(12(10-23)11-24)21(25)17-3-1-2-15(18)20(16)17/h1-9H
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n/an/an/a 4.24E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428733
PNG
(CHEMBL2333143)
Show SMILES NC(=O)C(=C\C=C\c1ccccc1)\C#N
Show InChI InChI=1S/C12H10N2O/c13-9-11(12(14)15)8-4-7-10-5-2-1-3-6-10/h1-8H,(H2,14,15)/b7-4+,11-8+
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n/an/an/a 1.06E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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n/an/an/a 2.65E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50428725
PNG
(CHEMBL2333151)
Show SMILES [#6]-[#6](-[#6])-c1ccc(-[#8]-c2ccc3\[#6](=[#6](/C#N)C#N)-[#6](=O)-c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-14(2)15-6-8-17(9-7-15)28-21-11-10-19-22(16(12-25)13-26)24(27)20-5-3-4-18(21)23(19)20/h3-11,14H,1-2H3
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n/an/an/a 3.71E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%