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Compile Data Set for Download or QSAR

Found 626 hits of ki for UniProtKB: Q07820   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078161
PNG
(CHEMBL3417702)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1
Show InChI InChI=1S/C46H54N6O7S/c1-4-60(55,56)51-24-22-50(23-25-51)35-17-19-36(20-18-35)59-32-41-43(33(2)47-48(41)3)40-14-8-13-38-39(15-9-29-58-42-16-7-11-34-10-5-6-12-37(34)42)45(46(53)54)52(44(38)40)26-21-49-27-30-57-31-28-49/h5-8,10-14,16-20H,4,9,15,21-32H2,1-3H3,(H,53,54)
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0.200n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078159
PNG
(CHEMBL3417700)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1
Show InChI InChI=1S/C46H52N6O6/c1-32-43(41(48(3)47-32)31-58-36-18-16-35(17-19-36)51-23-21-50(22-24-51)33(2)53)40-13-7-12-38-39(14-8-28-57-42-15-6-10-34-9-4-5-11-37(34)42)45(46(54)55)52(44(38)40)25-20-49-26-29-56-30-27-49/h4-7,9-13,15-19H,8,14,20-31H2,1-3H3,(H,54,55)
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0.240n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078162
PNG
(CHEMBL3417703)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1
Show InChI InChI=1S/C47H56N6O7S/c1-4-32-61(56,57)52-24-22-51(23-25-52)36-17-19-37(20-18-36)60-33-42-44(34(2)48-49(42)3)41-14-8-13-39-40(15-9-29-59-43-16-7-11-35-10-5-6-12-38(35)43)46(47(54)55)53(45(39)41)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,4,9,15,21-33H2,1-3H3,(H,54,55)
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0.310n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160014
PNG
(CHEMBL3785866)
Show SMILES Cc1n[nH]c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(O)=O
Show InChI InChI=1S/C30H28Cl2N4O7S/c1-14-12-18(13-15(2)26(14)32)42-11-5-6-19-20-7-8-21(31)25(24-16(3)34-35-17(24)4)27(20)33-28(19)29(37)36-44(40,41)23-10-9-22(43-23)30(38)39/h7-10,12-13,33H,5-6,11H2,1-4H3,(H,34,35)(H,36,37)(H,38,39)
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0.360n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078160
PNG
(CHEMBL3417701)
Show SMILES Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C45H52N6O7S/c1-32-42(40(47(2)46-32)31-58-35-18-16-34(17-19-35)49-21-23-50(24-22-49)59(3,54)55)39-13-7-12-37-38(14-8-28-57-41-15-6-10-33-9-4-5-11-36(33)41)44(45(52)53)51(43(37)39)25-20-48-26-29-56-30-27-48/h4-7,9-13,15-19H,8,14,20-31H2,1-3H3,(H,52,53)
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0.430n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078163
PNG
(CHEMBL3417704)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1
Show InChI InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
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0.450n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50086706
PNG
(CHEMBL3426335)
Show SMILES COCCCc1c(C(O)=O)n(CCN2CCOCC2)c2c(cccc12)-c1c(C)nn(C)c1COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C37H51N7O7S/c1-27-34(33(40(4)38-27)26-51-29-13-11-28(12-14-29)42-16-18-43(19-17-42)52(47,48)39(2)3)32-9-6-8-30-31(10-7-23-49-5)36(37(45)46)44(35(30)32)20-15-41-21-24-50-25-22-41/h6,8-9,11-14H,7,10,15-26H2,1-5H3,(H,45,46)
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0.454n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Mcl-1 (unknown origin) incubated for 60 mins by TR-FRET-binding affinity assay


J Med Chem 58: 3794-805 (2015)


Article DOI: 10.1021/jm501984f
BindingDB Entry DOI: 10.7270/Q24X59HH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078164
PNG
(CHEMBL3417705)
Show SMILES Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)N2CCOCC2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C48H57N7O8S/c1-35-45(43(50(2)49-35)34-63-38-17-15-37(16-18-38)52-20-22-53(23-21-52)64(58,59)54-27-32-61-33-28-54)42-12-6-11-40-41(13-7-29-62-44-14-5-9-36-8-3-4-10-39(36)44)47(48(56)57)55(46(40)42)24-19-51-25-30-60-31-26-51/h3-6,8-12,14-18H,7,13,19-34H2,1-2H3,(H,56,57)
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0.480n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160023
PNG
(CHEMBL3785263)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(O)=O
Show InChI InChI=1S/C31H30Cl2N4O7S/c1-15-13-19(14-16(2)27(15)33)43-12-6-7-20-21-8-9-22(32)26(25-17(3)35-37(5)18(25)4)28(21)34-29(20)30(38)36-45(41,42)24-11-10-23(44-24)31(39)40/h8-11,13-14,34H,6-7,12H2,1-5H3,(H,36,38)(H,39,40)
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0.780n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159997
PNG
(CHEMBL3785426)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NC2Cc3ccccc3C2)c1
Show InChI InChI=1S/C40H40Cl2N6O4S/c1-22-17-29(18-23(2)37(22)42)52-16-8-11-31-32-12-13-33(41)36(35-24(3)46-48(5)25(35)4)38(32)45-39(31)40(49)47-53(50,51)30-14-15-43-34(21-30)44-28-19-26-9-6-7-10-27(26)20-28/h6-7,9-10,12-15,17-18,21,28,45H,8,11,16,19-20H2,1-5H3,(H,43,44)(H,47,49)
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1n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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>1n/an/an/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Binding affinity to induced myeloid leukemia cell differentiation protein 1 (unknown origin)


Bioorg Med Chem 22: 4474-89 (2014)


Article DOI: 10.1016/j.bmc.2014.04.019
BindingDB Entry DOI: 10.7270/Q29K4CW0
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159996
PNG
(CHEMBL3786327)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NCCc2ccccc2)c1
Show InChI InChI=1S/C39H40Cl2N6O4S/c1-23-20-28(21-24(2)36(23)41)51-19-9-12-30-31-13-14-32(40)35(34-25(3)45-47(5)26(34)4)37(31)44-38(30)39(48)46-52(49,50)29-16-18-43-33(22-29)42-17-15-27-10-7-6-8-11-27/h6-8,10-11,13-14,16,18,20-22,44H,9,12,15,17,19H2,1-5H3,(H,42,43)(H,46,48)
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1.20n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078155
PNG
(CHEMBL3417697)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C34H38N4O4/c1-23-31(24(2)36(3)35-23)29-13-7-12-27-28(14-8-20-42-30-15-6-10-25-9-4-5-11-26(25)30)33(34(39)40)38(32(27)29)17-16-37-18-21-41-22-19-37/h4-7,9-13,15H,8,14,16-22H2,1-3H3,(H,39,40)
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1.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078165
PNG
(CHEMBL3417706)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(Cc4cccnc4)c23)cc1
Show InChI InChI=1S/C46H46N6O5/c1-31-43(41(48-49(31)3)30-57-36-20-18-35(19-21-36)51-25-23-50(24-26-51)32(2)53)40-15-7-14-38-39(16-9-27-56-42-17-6-12-34-11-4-5-13-37(34)42)45(46(54)55)52(44(38)40)29-33-10-8-22-47-28-33/h4-8,10-15,17-22,28H,9,16,23-27,29-30H2,1-3H3,(H,54,55)
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1.80n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078158
PNG
(CHEMBL3417699)
Show SMILES CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(C)nn(C)c3COc3ccc(cc3)N3CCNCC3)c2n1CCN1CCOCC1
Show InChI InChI=1S/C46H54N6O5/c1-4-55-46(53)45-39(15-9-29-56-42-16-7-11-34-10-5-6-12-37(34)42)38-13-8-14-40(44(38)52(45)26-25-50-27-30-54-31-28-50)43-33(2)48-49(3)41(43)32-57-36-19-17-35(18-20-36)51-23-21-47-22-24-51/h5-8,10-14,16-20,47H,4,9,15,21-32H2,1-3H3
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2n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078157
PNG
(CHEMBL3417698)
Show SMILES Cc1nn(C)c(COc2ccccc2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C40H42N4O5/c1-28-37(35(42(2)41-28)27-49-30-13-4-3-5-14-30)34-17-9-16-32-33(18-10-24-48-36-19-8-12-29-11-6-7-15-31(29)36)39(40(45)46)44(38(32)34)21-20-43-22-25-47-26-23-43/h3-9,11-17,19H,10,18,20-27H2,1-2H3,(H,45,46)
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2.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159956
PNG
(CHEMBL3786325)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H37Cl2N5O6S/c1-21-18-26(19-22(2)34(21)40)50-17-9-12-27-28-13-14-29(39)33(32-23(3)43-45(5)24(32)4)35(28)42-36(27)38(47)44-52(48,49)31-16-15-30(51-31)37(46)41-20-25-10-7-6-8-11-25/h6-8,10-11,13-16,18-19,42H,9,12,17,20H2,1-5H3,(H,41,46)(H,44,47)
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2.40n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159995
PNG
(CHEMBL3785279)
Show SMILES CN(CCc1ccccc1)c1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C40H42Cl2N6O4S/c1-24-21-29(22-25(2)37(24)42)52-20-10-13-31-32-14-15-33(41)36(35-26(3)45-48(6)27(35)4)38(32)44-39(31)40(49)46-53(50,51)30-16-18-43-34(23-30)47(5)19-17-28-11-8-7-9-12-28/h7-9,11-12,14-16,18,21-23,44H,10,13,17,19-20H2,1-6H3,(H,46,49)
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2.5n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078159
PNG
(CHEMBL3417700)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1
Show InChI InChI=1S/C46H52N6O6/c1-32-43(41(48(3)47-32)31-58-36-18-16-35(17-19-36)51-23-21-50(22-24-51)33(2)53)40-13-7-12-38-39(14-8-28-57-42-15-6-10-34-9-4-5-11-37(34)42)45(46(54)55)52(44(38)40)25-20-49-26-29-56-30-27-49/h4-7,9-13,15-19H,8,14,20-31H2,1-3H3,(H,54,55)
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2.70n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay in presence of 10% human serum


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160065
PNG
(CHEMBL3786706)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2ccoc2)c1
Show InChI InChI=1S/C38H37Cl2N5O6S/c1-21-16-27(17-22(2)34(21)40)51-14-7-10-29-30-11-12-31(39)33(32-23(3)43-45(5)24(32)4)35(30)42-36(29)38(47)44-52(48,49)28-9-6-8-25(18-28)19-41-37(46)26-13-15-50-20-26/h6,8-9,11-13,15-18,20,42H,7,10,14,19H2,1-5H3,(H,41,46)(H,44,47)
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2.90n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50086692
PNG
(CHEMBL3426333)
Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCCc4c(Cl)ccc2c34)cc(C)c1Cl
Show InChI InChI=1S/C23H23Cl2NO3/c1-13-11-15(12-14(2)20(13)25)29-10-4-6-16-17-7-8-19(24)18-5-3-9-26(21(17)18)22(16)23(27)28/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,27,28)
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3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay


J Med Chem 58: 3794-805 (2015)


Article DOI: 10.1021/jm501984f
BindingDB Entry DOI: 10.7270/Q24X59HH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078155
PNG
(CHEMBL3417697)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C34H38N4O4/c1-23-31(24(2)36(3)35-23)29-13-7-12-27-28(14-8-20-42-30-15-6-10-25-9-4-5-11-26(25)30)33(34(39)40)38(32(27)29)17-16-37-18-21-41-22-19-37/h4-7,9-13,15H,8,14,16-22H2,1-3H3,(H,39,40)
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4n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay in presence of 1% human serum


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078161
PNG
(CHEMBL3417702)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1
Show InChI InChI=1S/C46H54N6O7S/c1-4-60(55,56)51-24-22-50(23-25-51)35-17-19-36(20-18-35)59-32-41-43(33(2)47-48(41)3)40-14-8-13-38-39(15-9-29-58-42-16-7-11-34-10-5-6-12-37(34)42)45(46(53)54)52(44(38)40)26-21-49-27-30-57-31-28-49/h5-8,10-14,16-20H,4,9,15,21-32H2,1-3H3,(H,53,54)
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4.90n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay in presence of 10% human serum


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160021
PNG
(CHEMBL3787407)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C41H38Cl2F3N5O5S/c1-22-18-27(19-23(2)36(22)43)56-17-9-13-29-30-15-16-33(42)35(34-24(3)49-51(5)25(34)4)37(30)48-38(29)40(53)50-57(54,55)28-11-8-10-26(20-28)21-47-39(52)31-12-6-7-14-32(31)41(44,45)46/h6-8,10-12,14-16,18-20,48H,9,13,17,21H2,1-5H3,(H,47,52)(H,50,53)
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5n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159989
PNG
(CHEMBL3785178)
Show SMILES CC(C)CC(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C38H43Cl2N5O5S/c1-21(2)16-32(46)41-20-26-10-8-11-28(19-26)51(48,49)44-38(47)37-29(12-9-15-50-27-17-22(3)35(40)23(4)18-27)30-13-14-31(39)34(36(30)42-37)33-24(5)43-45(7)25(33)6/h8,10-11,13-14,17-19,21,42H,9,12,15-16,20H2,1-7H3,(H,41,46)(H,44,47)
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5.60n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159991
PNG
(CHEMBL3785689)
Show SMILES CC(C)CCNc1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C36H42Cl2N6O4S/c1-20(2)12-14-39-30-19-26(13-15-40-30)49(46,47)43-36(45)35-27(9-8-16-48-25-17-21(3)33(38)22(4)18-25)28-10-11-29(37)32(34(28)41-35)31-23(5)42-44(7)24(31)6/h10-11,13,15,17-20,41H,8-9,12,14,16H2,1-7H3,(H,39,40)(H,43,45)
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5.60n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078160
PNG
(CHEMBL3417701)
Show SMILES Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C45H52N6O7S/c1-32-42(40(47(2)46-32)31-58-35-18-16-34(17-19-35)49-21-23-50(24-22-49)59(3,54)55)39-13-7-12-37-38(14-8-28-57-41-15-6-10-33-9-4-5-11-36(33)41)44(45(52)53)51(43(37)39)25-20-48-26-29-56-30-27-48/h4-7,9-13,15-19H,8,14,20-31H2,1-3H3,(H,52,53)
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6n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay in presence of 10% human serum


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50148863
PNG
(CHEMBL3769721)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-17-26(18-21(2)32(20)38)46-16-7-11-27-28-12-13-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-15-8-14-41(35(43)34(27)42)25-10-6-9-24(19-25)36(44)45/h6,9-10,12-13,17-19H,7-8,11,14-16H2,1-5H3,(H,44,45)
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<7n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-GQVGRQLAIIGDDINR-NH2 as substrate after 90 mins by fluorescence po...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50148865
PNG
(CHEMBL3769699)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCn3c12
Show InChI InChI=1S/C36H37ClN4O4/c1-21-17-27(18-22(2)32(21)37)45-16-8-13-29-28-11-7-12-30(31-23(3)38-39(5)24(31)4)33(28)41-15-14-40(35(42)34(29)41)20-25-9-6-10-26(19-25)36(43)44/h6-7,9-12,17-19H,8,13-16,20H2,1-5H3,(H,43,44)
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<7n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-GQVGRQLAIIGDDINR-NH2 as substrate after 90 mins by fluorescence po...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160063
PNG
(CHEMBL3785313)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C41H38Cl2F3N5O5S/c1-22-17-29(18-23(2)36(22)43)56-16-8-13-31-32-14-15-33(42)35(34-24(3)49-51(5)25(34)4)37(32)48-38(31)40(53)50-57(54,55)30-12-6-9-26(19-30)21-47-39(52)27-10-7-11-28(20-27)41(44,45)46/h6-7,9-12,14-15,17-20,48H,8,13,16,21H2,1-5H3,(H,47,52)(H,50,53)
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7n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50148862
PNG
(CHEMBL3771322)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C33H34ClN5O4/c1-18-14-24(15-19(2)29(18)34)43-13-7-10-26-25-8-6-9-27(28-20(3)38-39(5)21(28)4)30(25)37-31(26)32(40)36-17-23-16-22(33(41)42)11-12-35-23/h6,8-9,11-12,14-16,37H,7,10,13,17H2,1-5H3,(H,36,40)(H,41,42)
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<7n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-GQVGRQLAIIGDDINR-NH2 as substrate after 90 mins by fluorescence po...


ACS Med Chem Lett 6: 1171-3 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00438
BindingDB Entry DOI: 10.7270/Q24M96DB
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078163
PNG
(CHEMBL3417704)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1
Show InChI InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
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7.90n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay in presence of 10% human serum


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159993
PNG
(CHEMBL3786057)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C37H36Cl2N6O6S/c1-20-17-25(18-21(2)33(20)39)50-16-6-7-26-27-8-9-28(38)32(31-22(3)43-45(5)23(31)4)34(27)42-35(26)37(47)44-52(48,49)30-11-10-29(51-30)36(46)41-19-24-12-14-40-15-13-24/h8-15,17-18,42H,6-7,16,19H2,1-5H3,(H,41,46)(H,44,47)
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8.5n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078162
PNG
(CHEMBL3417703)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1
Show InChI InChI=1S/C47H56N6O7S/c1-4-32-61(56,57)52-24-22-51(23-25-52)36-17-19-37(20-18-36)60-33-42-44(34(2)48-49(42)3)41-14-8-13-39-40(15-9-29-59-43-16-7-11-35-10-5-6-12-38(35)43)46(47(54)55)53(45(39)41)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,4,9,15,21-33H2,1-3H3,(H,54,55)
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8.80n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay in presence of 10% human serum


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50086693
PNG
(CHEMBL3426334)
Show SMILES Cc1cc(OCCCc2c(C(O)=O)n3CCOc4c(Cl)ccc2c34)cc(C)c1Cl
Show InChI InChI=1S/C22H21Cl2NO4/c1-12-10-14(11-13(2)18(12)24)28-8-3-4-15-16-5-6-17(23)21-19(16)25(7-9-29-21)20(15)22(26)27/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,27)
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9n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay


J Med Chem 58: 3794-805 (2015)


Article DOI: 10.1021/jm501984f
BindingDB Entry DOI: 10.7270/Q24X59HH
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078154
PNG
(CHEMBL3417694)
Show SMILES Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C35H36N2O4/c1-25-9-2-4-12-27(25)29-14-7-15-30-31(16-8-22-41-32-17-6-11-26-10-3-5-13-28(26)32)34(35(38)39)37(33(29)30)19-18-36-20-23-40-24-21-36/h2-7,9-15,17H,8,16,18-24H2,1H3,(H,38,39)
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9n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50078155
PNG
(CHEMBL3417697)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C34H38N4O4/c1-23-31(24(2)36(3)35-23)29-13-7-12-27-28(14-8-20-42-30-15-6-10-25-9-4-5-11-26(25)30)33(34(39)40)38(32(27)29)17-16-37-18-21-41-22-19-37/h4-7,9-13,15H,8,14,16-22H2,1-3H3,(H,39,40)
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<10n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160011
PNG
(CHEMBL3786622)
Show SMILES Cc1cc(OCCCc2c([nH]c3c(c(Cl)ccc23)-c2cccnc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
Show InChI InChI=1S/C32H29Cl2N3O4S/c1-19-17-22(18-20(2)29(19)34)41-16-8-12-25-26-13-14-27(33)28(24-11-7-15-35-21(24)3)30(26)36-31(25)32(38)37-42(39,40)23-9-5-4-6-10-23/h4-7,9-11,13-15,17-18,36H,8,12,16H2,1-3H3,(H,37,38)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160010
PNG
(CHEMBL3786147 | US10093640, Example 305)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H31ClN4O4S/c1-18-16-22(17-19(2)28(18)32)40-15-9-14-25-24-12-8-13-26(27-20(3)34-35-21(27)4)29(24)33-30(25)31(37)36-41(38,39)23-10-6-5-7-11-23/h5-8,10-13,16-17,33H,9,14-15H2,1-4H3,(H,34,35)(H,36,37)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160013
PNG
(CHEMBL3786945)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H32Cl2N4O4S/c1-18-16-22(17-19(2)29(18)34)42-15-9-12-24-25-13-14-26(33)28(27-20(3)36-38(5)21(27)4)30(25)35-31(24)32(39)37-43(40,41)23-10-7-6-8-11-23/h6-8,10-11,13-14,16-17,35H,9,12,15H2,1-5H3,(H,37,39)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160012
PNG
(CHEMBL3786233)
Show SMILES Cc1n[nH]c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H30Cl2N4O4S/c1-17-15-21(16-18(2)28(17)33)41-14-8-11-23-24-12-13-25(32)27(26-19(3)35-36-20(26)4)29(24)34-30(23)31(38)37-42(39,40)22-9-6-5-7-10-22/h5-7,9-10,12-13,15-16,34H,8,11,14H2,1-4H3,(H,35,36)(H,37,38)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159953
PNG
(CHEMBL3785461)
Show SMILES CC(C)C(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C37H41Cl2N5O5S/c1-20(2)36(45)40-19-25-10-8-11-27(18-25)50(47,48)43-37(46)35-28(12-9-15-49-26-16-21(3)33(39)22(4)17-26)29-13-14-30(38)32(34(29)41-35)31-23(5)42-44(7)24(31)6/h8,10-11,13-14,16-18,20,41H,9,12,15,19H2,1-7H3,(H,40,45)(H,43,46)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159989
PNG
(CHEMBL3785178)
Show SMILES CC(C)CC(=O)NCc1cccc(c1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C38H43Cl2N5O5S/c1-21(2)16-32(46)41-20-26-10-8-11-28(19-26)51(48,49)44-38(47)37-29(12-9-15-50-27-17-22(3)35(40)23(4)18-27)30-13-14-31(39)34(36(30)42-37)33-24(5)43-45(7)25(33)6/h8,10-11,13-14,17-19,21,42H,9,12,15-16,20H2,1-7H3,(H,41,46)(H,44,47)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159956
PNG
(CHEMBL3786325)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H37Cl2N5O6S/c1-21-18-26(19-22(2)34(21)40)50-17-9-12-27-28-13-14-29(39)33(32-23(3)43-45(5)24(32)4)35(28)42-36(27)38(47)44-52(48,49)31-16-15-30(51-31)37(46)41-20-25-10-7-6-8-11-25/h6-8,10-11,13-16,18-19,42H,9,12,17,20H2,1-5H3,(H,41,46)(H,44,47)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159993
PNG
(CHEMBL3786057)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C37H36Cl2N6O6S/c1-20-17-25(18-21(2)33(20)39)50-16-6-7-26-27-8-9-28(38)32(31-22(3)43-45(5)23(31)4)34(27)42-35(26)37(47)44-52(48,49)30-11-10-29(51-30)36(46)41-19-24-12-14-40-15-13-24/h8-15,17-18,42H,6-7,16,19H2,1-5H3,(H,41,46)(H,44,47)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159991
PNG
(CHEMBL3785689)
Show SMILES CC(C)CCNc1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C36H42Cl2N6O4S/c1-20(2)12-14-39-30-19-26(13-15-40-30)49(46,47)43-36(45)35-27(9-8-16-48-25-17-21(3)33(38)22(4)18-25)28-10-11-29(37)32(34(28)41-35)31-23(5)42-44(7)24(31)6/h10-11,13,15,17-20,41H,8-9,12,14,16H2,1-7H3,(H,39,40)(H,43,45)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159996
PNG
(CHEMBL3786327)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NCCc2ccccc2)c1
Show InChI InChI=1S/C39H40Cl2N6O4S/c1-23-20-28(21-24(2)36(23)41)51-19-9-12-30-31-13-14-32(40)35(34-25(3)45-47(5)26(34)4)37(31)44-38(30)39(48)46-52(49,50)29-16-18-43-33(22-29)42-17-15-27-10-7-6-8-11-27/h6-8,10-11,13-14,16,18,20-22,44H,9,12,15,17,19H2,1-5H3,(H,42,43)(H,46,48)
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<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159995
PNG
(CHEMBL3785279)
Show SMILES CN(CCc1ccccc1)c1cc(ccn1)S(=O)(=O)NC(=O)c1[nH]c2c(-c3c(C)nn(C)c3C)c(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1
Show InChI InChI=1S/C40H42Cl2N6O4S/c1-24-21-29(22-25(2)37(24)42)52-20-10-13-31-32-14-15-33(41)36(35-26(3)45-48(6)27(35)4)38(32)44-39(31)40(49)46-53(50,51)30-16-18-43-34(23-30)47(5)19-17-28-11-8-7-9-12-28/h7-9,11-12,14-16,18,21-23,44H,10,13,17,19-20H2,1-6H3,(H,46,49)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50159997
PNG
(CHEMBL3785426)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccnc(NC2Cc3ccccc3C2)c1
Show InChI InChI=1S/C40H40Cl2N6O4S/c1-22-17-29(18-23(2)37(22)42)52-16-8-11-31-32-12-13-33(41)36(35-24(3)46-48(5)25(35)4)38(32)45-39(31)40(49)47-53(50,51)30-14-15-43-34(21-30)44-28-19-26-9-6-7-10-27(26)20-28/h6-7,9-10,12-15,17-18,21,28,45H,8,11,16,19-20H2,1-5H3,(H,43,44)(H,47,49)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
<10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50160061
PNG
(CHEMBL3787158)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1cccc(CNC(=O)c2cccn2C)c1
Show InChI InChI=1S/C39H40Cl2N6O5S/c1-22-18-27(19-23(2)35(22)41)52-17-9-12-29-30-14-15-31(40)34(33-24(3)44-47(6)25(33)4)36(30)43-37(29)39(49)45-53(50,51)28-11-7-10-26(20-28)21-42-38(48)32-13-8-16-46(32)5/h7-8,10-11,13-16,18-20,43H,9,12,17,21H2,1-6H3,(H,42,48)(H,45,49)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-p...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair
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