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PubMed code 24749893

Compile data set for download or QSAR
Found 123 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))
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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170n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013867
PNG
(CHEMBL3265299)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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180n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013891
PNG
(CHEMBL3260032)
Show SMILES Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc12
Show InChI InChI=1S/C24H19N5O4S2/c30-24-20-9-5-4-8-19(20)21(14-22(24)34-15-23-25-28-29-26-23)27-35(31,32)18-12-10-17(11-13-18)33-16-6-2-1-3-7-16/h1-14,27,30H,15H2,(H,25,26,28,29)
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210n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013866
PNG
(CHEMBL3265298)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2F)c2ccccc2c1O
Show InChI InChI=1S/C24H17F2NO5S2/c25-15-7-10-17(20(26)11-15)14-5-8-16(9-6-14)34(31,32)27-21-12-22(33-13-23(28)29)24(30)19-4-2-1-3-18(19)21/h1-12,27,30H,13H2,(H,28,29)
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240n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013868
PNG
(CHEMBL3265300)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18FNO6S2/c25-15-5-7-16(8-6-15)32-17-9-11-18(12-10-17)34(30,31)26-21-13-22(33-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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290n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013862
PNG
(CHEMBL3265294)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20(19)24(22)28)25-32(29,30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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370n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013863
PNG
(CHEMBL3265295)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-11-4-5-12-20(19)24(22)28)25-32(29,30)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-14,25,28H,15H2,(H,26,27)
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380n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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490n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013838
PNG
(CHEMBL3260042)
Show SMILES COc1c(I)cc(C=O)c2ccccc12
Show InChI InChI=1S/C12H9IO2/c1-15-12-10-5-3-2-4-9(10)8(7-14)6-11(12)13/h2-7H,1H3
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550n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013861
PNG
(CHEMBL3235895)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O
Show InChI InChI=1S/C22H17NO5S2/c24-21(25)13-29-20-12-19(17-7-3-4-8-18(17)22(20)26)23-30(27,28)16-10-9-14-5-1-2-6-15(14)11-16/h1-12,23,26H,13H2,(H,24,25)
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730n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013845
PNG
(CHEMBL3265290)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C22H23NO5S2/c1-22(2,3)14-8-10-15(11-9-14)30(27,28)23-18-12-19(29-13-20(24)25)21(26)17-7-5-4-6-16(17)18/h4-12,23,26H,13H2,1-3H3,(H,24,25)
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810n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM53262
PNG
(2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaph...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14ClNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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820n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013882
PNG
(CHEMBL3265313)
Show SMILES Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C18H14BrN5O3S2/c19-11-5-7-12(8-6-11)29(26,27)22-15-9-16(28-10-17-20-23-24-21-17)18(25)14-4-2-1-3-13(14)15/h1-9,22,25H,10H2,(H,20,21,23,24)
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1.01E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013844
PNG
(CHEMBL3235886)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C21H21NO5S2/c1-13(2)14-7-9-15(10-8-14)29(26,27)22-18-11-19(28-12-20(23)24)21(25)17-6-4-3-5-16(17)18/h3-11,13,22,25H,12H2,1-2H3,(H,23,24)
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1.06E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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1.11E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013883
PNG
(CHEMBL3260033)
Show SMILES OC(=O)CCSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O
Show InChI InChI=1S/C23H19NO5S2/c25-22(26)11-12-30-21-14-20(18-7-3-4-8-19(18)23(21)27)24-31(28,29)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14,24,27H,11-12H2,(H,25,26)
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1.13E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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1.36E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013860
PNG
(CHEMBL3265293)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cc3ccccc3s2)c2ccccc2c1O
Show InChI InChI=1S/C20H15NO5S3/c22-18(23)11-27-17-10-15(13-6-2-3-7-14(13)20(17)24)21-29(25,26)19-9-12-5-1-4-8-16(12)28-19/h1-10,21,24H,11H2,(H,22,23)
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1.54E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM52608
PNG
(2-[4-[(4-ethylphenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C20H19NO5S2/c1-2-13-7-9-14(10-8-13)28(25,26)21-17-11-18(27-12-19(22)23)20(24)16-6-4-3-5-15(16)17/h3-11,21,24H,2,12H2,1H3,(H,22,23)
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1.55E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013839
PNG
(CHEMBL2030270)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19)
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1.55E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013867
PNG
(CHEMBL3265299)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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1.58E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013879
PNG
(CHEMBL3265310)
Show SMILES NC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H15BrN2O4S2/c19-11-5-7-12(8-6-11)27(24,25)21-15-9-16(26-10-17(20)22)18(23)14-4-2-1-3-13(14)15/h1-9,21,23H,10H2,(H2,20,22)
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1.71E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013862
PNG
(CHEMBL3265294)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20(19)24(22)28)25-32(29,30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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1.92E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013864
PNG
(CHEMBL3265296)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)
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2.03E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013881
PNG
(CHEMBL3265312)
Show SMILES OCCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C20H20BrNO4S/c21-15-8-10-16(11-9-15)27(25,26)22-19-13-14(5-3-4-12-23)20(24)18-7-2-1-6-17(18)19/h1-2,6-11,13,22-24H,3-5,12H2
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2.18E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013863
PNG
(CHEMBL3265295)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-11-4-5-12-20(19)24(22)28)25-32(29,30)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-14,25,28H,15H2,(H,26,27)
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2.19E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013869
PNG
(CHEMBL3265301)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)N2CCN(CC2)c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C22H23N3O5S2/c26-21(27)15-31-20-14-19(17-8-4-5-9-18(17)22(20)28)23-32(29,30)25-12-10-24(11-13-25)16-6-2-1-3-7-16/h1-9,14,23,28H,10-13,15H2,(H,26,27)
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2.22E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50013862
PNG
(CHEMBL3265294)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20(19)24(22)28)25-32(29,30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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2.34E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013858
PNG
(CHEMBL3265291)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(Br)c2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-4-3-5-12(8-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-7-2-1-6-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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2.35E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013843
PNG
(CHEMBL1868007)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H17NO5S2/c1-12-6-8-13(9-7-12)27(24,25)20-16-10-17(26-11-18(21)22)19(23)15-5-3-2-4-14(15)16/h2-10,20,23H,11H2,1H3,(H,21,22)
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3.13E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50013863
PNG
(CHEMBL3265295)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-11-4-5-12-20(19)24(22)28)25-32(29,30)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-14,25,28H,15H2,(H,26,27)
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3.18E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50013867
PNG
(CHEMBL3265299)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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3.36E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013842
PNG
(CHEMBL1865517 | DNDI1417874)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C18H15NO5S2/c20-17(21)11-25-16-10-15(13-8-4-5-9-14(13)18(16)22)19-26(23,24)12-6-2-1-3-7-12/h1-10,19,22H,11H2,(H,20,21)
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3.56E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013880
PNG
(CHEMBL3265311)
Show SMILES OCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C19H18BrNO4S/c20-14-7-9-15(10-8-14)26(24,25)21-18-12-13(4-3-11-22)19(23)17-6-2-1-5-16(17)18/h1-2,5-10,12,21-23H,3-4,11H2
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3.79E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013851
PNG
(CHEMBL1888104)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14FNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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4.23E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013864
PNG
(CHEMBL3265296)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)
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4.41E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013859
PNG
(CHEMBL3265292)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2Br)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-13-7-3-4-8-16(13)27(24,25)20-14-9-15(26-10-17(21)22)18(23)12-6-2-1-5-11(12)14/h1-9,20,23H,10H2,(H,21,22)
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4.42E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013878
PNG
(CHEMBL3265309)
Show SMILES COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16BrNO5S2/c1-26-18(22)11-27-17-10-16(14-4-2-3-5-15(14)19(17)23)21-28(24,25)13-8-6-12(20)7-9-13/h2-10,21,23H,11H2,1H3
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5.08E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013872
PNG
(CHEMBL3265303)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16ClNO5S2/c20-13-7-5-12(6-8-13)11-28(25,26)21-16-9-17(27-10-18(22)23)19(24)15-4-2-1-3-14(15)16/h1-9,21,24H,10-11H2,(H,22,23)
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5.23E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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5.33E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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6.11E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCL2 (1 to 202) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50013839
PNG
(CHEMBL2030270)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19)
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6.14E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50013867
PNG
(CHEMBL3265299)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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7.56E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCL2 (1 to 202) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50013863
PNG
(CHEMBL3265295)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-11-4-5-12-20(19)24(22)28)25-32(29,30)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-14,25,28H,15H2,(H,26,27)
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7.85E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCL2 (1 to 202) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50013862
PNG
(CHEMBL3265294)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20(19)24(22)28)25-32(29,30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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8.05E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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8.19E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50013862
PNG
(CHEMBL3265294)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20(19)24(22)28)25-32(29,30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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8.82E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCL2 (1 to 202) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM71455
PNG
(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H17NO6S2/c1-26-12-6-8-13(9-7-12)28(24,25)20-16-10-17(27-11-18(21)22)19(23)15-5-3-2-4-14(15)16/h2-10,20,23H,11H2,1H3,(H,21,22)
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9.31E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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9.59E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50013867
PNG
(CHEMBL3265299)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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1.06E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013874
PNG
(CHEMBL3265305)
Show SMILES OC(=O)CSc1cc(NC(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C20H16ClNO4S/c21-13-7-5-12(6-8-13)9-18(23)22-16-10-17(27-11-19(24)25)20(26)15-4-2-1-3-14(15)16/h1-8,10,26H,9,11H2,(H,22,23)(H,24,25)
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1.25E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50013838
PNG
(CHEMBL3260042)
Show SMILES COc1c(I)cc(C=O)c2ccccc12
Show InChI InChI=1S/C12H9IO2/c1-15-12-10-5-3-2-4-9(10)8(7-14)6-11(12)13/h2-7H,1H3
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>1.50E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50013863
PNG
(CHEMBL3265295)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-11-4-5-12-20(19)24(22)28)25-32(29,30)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-14,25,28H,15H2,(H,26,27)
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1.51E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50013864
PNG
(CHEMBL3265296)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)
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1.73E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013888
PNG
(CHEMBL3260038)
Show SMILES COc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21NO5S2/c1-31-25-21-10-6-5-9-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-15,26H,16H2,1H3,(H,27,28)
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2.00E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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2.38E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCL2 (1 to 202) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50013864
PNG
(CHEMBL3265296)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)
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2.38E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCL2 (1 to 202) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013834
PNG
(CHEMBL3260039)
Show SMILES COc1c(SCC(O)=O)cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21NO5S2/c1-31-25-21-13-6-5-12-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-11-7-10-18(14-19)17-8-3-2-4-9-17/h2-15,26H,16H2,1H3,(H,27,28)
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2.42E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013877
PNG
(CHEMBL3265308)
Show SMILES CCCCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C20H20BrNO3S2/c1-2-3-12-26-19-13-18(16-6-4-5-7-17(16)20(19)23)22-27(24,25)15-10-8-14(21)9-11-15/h4-11,13,22-23H,2-3,12H2,1H3
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>2.70E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013886
PNG
(CHEMBL3260036)
Show SMILES COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1OC
Show InChI InChI=1S/C20H18BrNO5S2/c1-26-19(23)12-28-18-11-17(15-5-3-4-6-16(15)20(18)27-2)22-29(24,25)14-9-7-13(21)8-10-14/h3-11,22H,12H2,1-2H3
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>2.70E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013884
PNG
(CHEMBL3260034)
Show SMILES OC(=O)CCSc1cc(NS(=O)(=O)c2cccc3ccccc23)c2ccccc2c1O
Show InChI InChI=1S/C23H19NO5S2/c25-22(26)12-13-30-20-14-19(17-9-3-4-10-18(17)23(20)27)24-31(28,29)21-11-5-7-15-6-1-2-8-16(15)21/h1-11,14,24,27H,12-13H2,(H,25,26)
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>2.70E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013887
PNG
(CHEMBL3260037)
Show SMILES COc1c(SCC(N)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C19H17BrN2O4S2/c1-26-19-15-5-3-2-4-14(15)16(10-17(19)27-11-18(21)23)22-28(24,25)13-8-6-12(20)7-9-13/h2-10,22H,11H2,1H3,(H2,21,23)
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>2.70E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013835
PNG
(CHEMBL3260040)
Show SMILES COc1c(CCCCO)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C21H22BrNO4S/c1-27-21-15(6-4-5-13-24)14-20(18-7-2-3-8-19(18)21)23-28(25,26)17-11-9-16(22)10-12-17/h2-3,7-12,14,23-24H,4-6,13H2,1H3
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>2.70E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM43305
PNG
(N-(4-hydroxy-1-naphthalenyl)benzenesulfonamide | N...)
Show SMILES Oc1ccc(NS(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H13NO3S/c18-16-11-10-15(13-8-4-5-9-14(13)16)17-21(19,20)12-6-2-1-3-7-12/h1-11,17-18H
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>2.70E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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3.30E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013837
PNG
(CHEMBL3260041)
Show SMILES CC(=O)Oc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C20H16BrNO6S2/c1-12(23)28-20-16-5-3-2-4-15(16)17(10-18(20)29-11-19(24)25)22-30(26,27)14-8-6-13(21)7-9-14/h2-10,22H,11H2,1H3,(H,24,25)
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3.40E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013839
PNG
(CHEMBL2030270)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19)
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3.75E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013871
PNG
(CHEMBL3259874)
Show SMILES OC(=O)CSc1cc(NC(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C19H14BrNO4S/c20-12-7-5-11(6-8-12)19(25)21-15-9-16(26-10-17(22)23)18(24)14-4-2-1-3-13(14)15/h1-9,24H,10H2,(H,21,25)(H,22,23)
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4.02E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50013864
PNG
(CHEMBL3265296)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)
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4.82E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50013839
PNG
(CHEMBL2030270)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19)
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5.47E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCL2 (1 to 202) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013875
PNG
(CHEMBL3265306)
Show SMILES OC(=O)CSc1cc(NC(=O)Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C20H17NO4S/c22-18(10-13-6-2-1-3-7-13)21-16-11-17(26-12-19(23)24)20(25)15-9-5-4-8-14(15)16/h1-9,11,25H,10,12H2,(H,21,22)(H,23,24)
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5.94E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013873
PNG
(CHEMBL3265304)
Show SMILES OC(=O)CSc1cc(CNS(=O)(=O)c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H17NO5S2/c21-18(22)12-26-17-10-13(15-8-4-5-9-16(15)19(17)23)11-20-27(24,25)14-6-2-1-3-7-14/h1-10,20,23H,11-12H2,(H,21,22)
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6.48E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013840
PNG
(CHEMBL3265289)
Show SMILES CS(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H13NO5S2/c1-21(18,19)14-10-6-11(20-7-12(15)16)13(17)9-5-3-2-4-8(9)10/h2-6,14,17H,7H2,1H3,(H,15,16)
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7.49E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013885
PNG
(CHEMBL3260035)
Show SMILES COc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C19H16BrNO5S2/c1-26-19-15-5-3-2-4-14(15)16(10-17(19)27-11-18(22)23)21-28(24,25)13-8-6-12(20)7-9-13/h2-10,21H,11H2,1H3,(H,22,23)
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8.70E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50013839
PNG
(CHEMBL2030270)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19)
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9.90E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013870
PNG
(CHEMBL3265302)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O
Show InChI InChI=1S/C14H12BrNO5S2/c15-9-1-4-11(5-2-9)23(20,21)16-10-3-6-12(17)13(7-10)22-8-14(18)19/h1-7,16-17H,8H2,(H,18,19)
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2.83E+5n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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n/an/a 880n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013868
PNG
(CHEMBL3265300)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18FNO6S2/c25-15-5-7-16(8-6-15)32-17-9-11-18(12-10-17)34(30,31)26-21-13-22(33-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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n/an/a 900n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013866
PNG
(CHEMBL3265298)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2F)c2ccccc2c1O
Show InChI InChI=1S/C24H17F2NO5S2/c25-15-7-10-17(20(26)11-15)14-5-8-16(9-6-14)34(31,32)27-21-12-22(33-13-23(28)29)24(30)19-4-2-1-3-18(19)21/h1-12,27,30H,13H2,(H,28,29)
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n/an/a 920n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013867
PNG
(CHEMBL3265299)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013882
PNG
(CHEMBL3265313)
Show SMILES Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C18H14BrN5O3S2/c19-11-5-7-12(8-6-11)29(26,27)22-15-9-16(28-10-17-20-23-24-21-17)18(25)14-4-2-1-3-13(14)15/h1-9,22,25H,10H2,(H,20,21,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013862
PNG
(CHEMBL3265294)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20(19)24(22)28)25-32(29,30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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n/an/a 2.03E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013863
PNG
(CHEMBL3265295)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-11-4-5-12-20(19)24(22)28)25-32(29,30)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-14,25,28H,15H2,(H,26,27)
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n/an/a 2.31E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM53262
PNG
(2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaph...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14ClNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013861
PNG
(CHEMBL3235895)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O
Show InChI InChI=1S/C22H17NO5S2/c24-21(25)13-29-20-12-19(17-7-3-4-8-18(17)22(20)26)23-30(27,28)16-10-9-14-5-1-2-6-15(14)11-16/h1-12,23,26H,13H2,(H,24,25)
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n/an/a 2.76E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013879
PNG
(CHEMBL3265310)
Show SMILES NC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H15BrN2O4S2/c19-11-5-7-12(8-6-11)27(24,25)21-15-9-16(26-10-17(20)22)18(23)14-4-2-1-3-13(14)15/h1-9,21,23H,10H2,(H2,20,22)
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n/an/a 3.87E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013844
PNG
(CHEMBL3235886)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C21H21NO5S2/c1-13(2)14-7-9-15(10-8-14)29(26,27)22-18-11-19(28-12-20(23)24)21(25)17-6-4-3-5-16(17)18/h3-11,13,22,25H,12H2,1-2H3,(H,23,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013890
PNG
(CHEMBL3265288)
Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-8-14(21)16(23)15(12)22/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17-
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n/an/a 4.72E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of FITC-labeled MCL1 (unknown origin) after 5 mins by fluorescence polarization assay


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013851
PNG
(CHEMBL1888104)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14FNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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n/an/a 5.01E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013883
PNG
(CHEMBL3260033)
Show SMILES OC(=O)CCSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O
Show InChI InChI=1S/C23H19NO5S2/c25-22(26)11-12-30-21-14-20(18-7-3-4-8-19(18)23(21)27)24-31(28,29)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14,24,27H,11-12H2,(H,25,26)
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n/an/a 5.03E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013859
PNG
(CHEMBL3265292)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2Br)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-13-7-3-4-8-16(13)27(24,25)20-14-9-15(26-10-17(21)22)18(23)12-6-2-1-5-11(12)14/h1-9,20,23H,10H2,(H,21,22)
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n/an/a 6.18E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013839
PNG
(CHEMBL2030270)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19)
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n/an/a 7.12E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM71455
PNG
(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H17NO6S2/c1-26-12-6-8-13(9-7-12)28(24,25)20-16-10-17(27-11-18(21)22)19(23)15-5-3-2-4-14(15)16/h2-10,20,23H,11H2,1H3,(H,21,22)
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n/an/a 7.17E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013860
PNG
(CHEMBL3265293)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cc3ccccc3s2)c2ccccc2c1O
Show InChI InChI=1S/C20H15NO5S3/c22-18(23)11-27-17-10-15(13-6-2-3-7-14(13)20(17)24)21-29(25,26)19-9-12-5-1-4-8-16(12)28-19/h1-10,21,24H,11H2,(H,22,23)
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM52608
PNG
(2-[4-[(4-ethylphenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C20H19NO5S2/c1-2-13-7-9-14(10-8-13)28(25,26)21-17-11-18(27-12-19(22)23)20(24)16-6-4-3-5-15(16)17/h3-11,21,24H,2,12H2,1H3,(H,22,23)
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n/an/a 8.68E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013845
PNG
(CHEMBL3265290)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C22H23NO5S2/c1-22(2,3)14-8-10-15(11-9-14)30(27,28)23-18-12-19(29-13-20(24)25)21(26)17-7-5-4-6-16(17)18/h4-12,23,26H,13H2,1-3H3,(H,24,25)
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n/an/a 8.73E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013872
PNG
(CHEMBL3265303)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16ClNO5S2/c20-13-7-5-12(6-8-13)11-28(25,26)21-16-9-17(27-10-18(22)23)19(24)15-4-2-1-3-14(15)16/h1-9,21,24H,10-11H2,(H,22,23)
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n/an/a 9.59E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013858
PNG
(CHEMBL3265291)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(Br)c2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-4-3-5-12(8-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-7-2-1-6-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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n/an/a 9.68E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013864
PNG
(CHEMBL3265296)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)
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n/an/a 9.90E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013880
PNG
(CHEMBL3265311)
Show SMILES OCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C19H18BrNO4S/c20-14-7-9-15(10-8-14)26(24,25)21-18-12-13(4-3-11-22)19(23)17-6-2-1-5-16(17)18/h1-2,5-10,12,21-23H,3-4,11H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013843
PNG
(CHEMBL1868007)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H17NO5S2/c1-12-6-8-13(9-7-12)27(24,25)20-16-10-17(26-11-18(21)22)19(23)15-5-3-2-4-14(15)16/h2-10,20,23H,11H2,1H3,(H,21,22)
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n/an/a 1.16E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013842
PNG
(CHEMBL1865517 | DNDI1417874)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C18H15NO5S2/c20-17(21)11-25-16-10-15(13-8-4-5-9-14(13)18(16)22)19-26(23,24)12-6-2-1-3-7-12/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013878
PNG
(CHEMBL3265309)
Show SMILES COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16BrNO5S2/c1-26-18(22)11-27-17-10-16(14-4-2-3-5-15(14)19(17)23)21-28(24,25)13-8-6-12(20)7-9-13/h2-10,21,23H,11H2,1H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013869
PNG
(CHEMBL3265301)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)N2CCN(CC2)c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C22H23N3O5S2/c26-21(27)15-31-20-14-19(17-8-4-5-9-18(17)22(20)28)23-32(29,30)25-12-10-24(11-13-25)16-6-2-1-3-7-16/h1-9,14,23,28H,10-13,15H2,(H,26,27)
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n/an/a 1.62E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013874
PNG
(CHEMBL3265305)
Show SMILES OC(=O)CSc1cc(NC(=O)Cc2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C20H16ClNO4S/c21-13-7-5-12(6-8-13)9-18(23)22-16-10-17(27-11-19(24)25)20(26)15-4-2-1-3-14(15)16/h1-8,10,26H,9,11H2,(H,22,23)(H,24,25)
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n/an/a 1.83E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013881
PNG
(CHEMBL3265312)
Show SMILES OCCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C20H20BrNO4S/c21-15-8-10-16(11-9-15)27(25,26)22-19-13-14(5-3-4-12-23)20(24)18-7-2-1-6-17(18)19/h1-2,6-11,13,22-24H,3-5,12H2
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n/an/a 1.97E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013837
PNG
(CHEMBL3260041)
Show SMILES CC(=O)Oc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C20H16BrNO6S2/c1-12(23)28-20-16-5-3-2-4-15(16)17(10-18(20)29-11-19(24)25)22-30(26,27)14-8-6-13(21)7-9-14/h2-10,22H,11H2,1H3,(H,24,25)
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n/an/a 2.68E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013873
PNG
(CHEMBL3265304)
Show SMILES OC(=O)CSc1cc(CNS(=O)(=O)c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H17NO5S2/c21-18(22)12-26-17-10-13(15-8-4-5-9-16(15)19(17)23)11-20-27(24,25)14-6-2-1-3-7-14/h1-10,20,23H,11-12H2,(H,21,22)
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n/an/a 3.02E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013871
PNG
(CHEMBL3259874)
Show SMILES OC(=O)CSc1cc(NC(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C19H14BrNO4S/c20-12-7-5-11(6-8-12)19(25)21-15-9-16(26-10-17(22)23)18(24)14-4-2-1-3-13(14)15/h1-9,24H,10H2,(H,21,25)(H,22,23)
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n/an/a 4.51E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50013890
PNG
(CHEMBL3265288)
Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-8-14(21)16(23)15(12)22/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013834
PNG
(CHEMBL3260039)
Show SMILES COc1c(SCC(O)=O)cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21NO5S2/c1-31-25-21-13-6-5-12-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-11-7-10-18(14-19)17-8-3-2-4-9-17/h2-15,26H,16H2,1H3,(H,27,28)
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n/an/a 5.84E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013875
PNG
(CHEMBL3265306)
Show SMILES OC(=O)CSc1cc(NC(=O)Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C20H17NO4S/c22-18(10-13-6-2-1-3-7-13)21-16-11-17(26-12-19(23)24)20(25)15-9-5-4-8-14(15)16/h1-9,11,25H,10,12H2,(H,21,22)(H,23,24)
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n/an/a 6.38E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013884
PNG
(CHEMBL3260034)
Show SMILES OC(=O)CCSc1cc(NS(=O)(=O)c2cccc3ccccc23)c2ccccc2c1O
Show InChI InChI=1S/C23H19NO5S2/c25-22(26)12-13-30-20-14-19(17-9-3-4-10-18(17)23(20)27)24-31(28,29)21-11-5-7-15-6-1-2-8-16(15)21/h1-11,14,24,27H,12-13H2,(H,25,26)
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n/an/a 6.49E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013887
PNG
(CHEMBL3260037)
Show SMILES COc1c(SCC(N)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C19H17BrN2O4S2/c1-26-19-15-5-3-2-4-14(15)16(10-17(19)27-11-18(21)23)22-28(24,25)13-8-6-12(20)7-9-13/h2-10,22H,11H2,1H3,(H2,21,23)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013888
PNG
(CHEMBL3260038)
Show SMILES COc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21NO5S2/c1-31-25-21-10-6-5-9-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-15,26H,16H2,1H3,(H,27,28)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013886
PNG
(CHEMBL3260036)
Show SMILES COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1OC
Show InChI InChI=1S/C20H18BrNO5S2/c1-26-19(23)12-28-18-11-17(15-5-3-4-6-16(15)20(18)27-2)22-29(24,25)14-9-7-13(21)8-10-14/h3-11,22H,12H2,1-2H3
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM43305
PNG
(N-(4-hydroxy-1-naphthalenyl)benzenesulfonamide | N...)
Show SMILES Oc1ccc(NS(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H13NO3S/c18-16-11-10-15(13-8-4-5-9-14(13)16)17-21(19,20)12-6-2-1-3-7-12/h1-11,17-18H
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013885
PNG
(CHEMBL3260035)
Show SMILES COc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C19H16BrNO5S2/c1-26-19-15-5-3-2-4-14(15)16(10-17(19)27-11-18(22)23)21-28(24,25)13-8-6-12(20)7-9-13/h2-10,21H,11H2,1H3,(H,22,23)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013877
PNG
(CHEMBL3265308)
Show SMILES CCCCSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C20H20BrNO3S2/c1-2-3-12-26-19-13-18(16-6-4-5-7-17(16)20(19)23)22-27(24,25)15-10-8-14(21)9-11-15/h4-11,13,22-23H,2-3,12H2,1H3
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013840
PNG
(CHEMBL3265289)
Show SMILES CS(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H13NO5S2/c1-21(18,19)14-10-6-11(20-7-12(15)16)13(17)9-5-3-2-4-8(9)10/h2-6,14,17H,7H2,1H3,(H,15,16)
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013835
PNG
(CHEMBL3260040)
Show SMILES COc1c(CCCCO)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C21H22BrNO4S/c1-27-21-15(6-4-5-13-24)14-20(18-7-2-3-8-19(18)21)23-28(25,26)17-11-9-16(22)10-12-17/h2-3,7-12,14,23-24H,4-6,13H2,1H3
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University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50013870
PNG
(CHEMBL3265302)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O
Show InChI InChI=1S/C14H12BrNO5S2/c15-9-1-4-11(5-2-9)23(20,21)16-10-3-6-12(17)13(7-10)22-8-14(18)19/h1-7,16-17H,8H2,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%