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13 similar compounds to monomer 50388983

Compile data set for download or QSAR
Wt: 1081.7
BDBM50388977
Wt: 1135.8
BDBM50388982
Wt: 1090.7
BDBM50388984
Wt: 1075.7
BDBM50388985
Wt: 1047.7
BDBM50388986
Wt: 1107.8
BDBM50388987
Wt: 1033.7
BDBM50388989
Wt: 907.5
BDBM50388990
Wt: 921.5
BDBM50393837
Wt: 1047.7
BDBM50393838
Wt: 977.6
BDBM50427831
Wt: 991.6
BDBM50427832
Wt: 907.5
BDBM50427833

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50388977,50388982,50388984,50388985,50388986,50388987,50388989,50388990,50393837,50393838,50427831,50427832,50427833   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388990
PNG
(CHEMBL2063893)
Show SMILES CNC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C47H51ClN8O5S2/c1-49-47(57)46-45(42(31-53(46)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)55-27-25-54(26-28-55)38-19-17-36(18-20-38)51-63(60,61)41-21-22-43(44(30-41)56(58)59)50-37(23-24-52(2)3)32-62-40-11-6-5-7-12-40/h5-22,29-31,37,50-51H,23-28,32H2,1-4H3,(H,49,57)/t37-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388986
PNG
(CHEMBL2063886)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388986
PNG
(CHEMBL2063886)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388982
PNG
(CHEMBL2063882)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C58H71ClN10O8S2/c1-63(2)27-23-46(41-78-50-11-5-4-6-12-50)61-53-22-21-51(38-54(53)69(74)75)79(76,77)62-57(72)43-15-19-47(20-16-43)66-33-35-67(36-34-66)48-10-7-9-44(37-48)55-52(42-13-17-45(59)18-14-42)39-68(28-24-49(71)40-70)56(55)58(73)60-25-8-26-65-31-29-64(3)30-32-65/h4-7,9-22,37-39,46,49,61,70-71H,8,23-36,40-41H2,1-3H3,(H,60,73)(H,62,72)/t46-,49+/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388987
PNG
(CHEMBL2063888)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C57H71ClN10O7S2/c1-62(2)28-24-46(41-76-50-8-5-4-6-9-50)60-53-23-22-51(38-54(53)68(72)73)77(74,75)61-45-16-20-48(21-17-45)66-36-34-65(35-37-66)47-18-12-43(13-19-47)55-52(42-10-14-44(58)15-11-42)39-67(29-25-49(70)40-69)56(55)57(71)59-26-7-27-64-32-30-63(3)31-33-64/h4-6,8-23,38-39,46,49,60-61,69-70H,7,24-37,40-41H2,1-3H3,(H,59,71)/t46-,49+/m1/s1
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8.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388977
PNG
(CHEMBL2063887)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(NCCNc2cccc(c2)-c2c(cn(CC[C@H](O)CO)c2C(=O)NCCCN2CCN(C)CC2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C55H69ClN10O7S2/c1-62(2)29-23-46(39-74-48-11-5-4-6-12-48)60-51-22-21-49(36-52(51)66(70)71)75(72,73)61-44-19-17-43(18-20-44)57-26-27-58-45-10-7-9-41(35-45)53-50(40-13-15-42(56)16-14-40)37-65(30-24-47(68)38-67)54(53)55(69)59-25-8-28-64-33-31-63(3)32-34-64/h4-7,9-22,35-37,46-47,57-58,60-61,67-68H,8,23-34,38-39H2,1-3H3,(H,59,69)/t46-,47+/m1/s1
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11.3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388977
PNG
(CHEMBL2063887)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(NCCNc2cccc(c2)-c2c(cn(CC[C@H](O)CO)c2C(=O)NCCCN2CCN(C)CC2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C55H69ClN10O7S2/c1-62(2)29-23-46(39-74-48-11-5-4-6-12-48)60-51-22-21-49(36-52(51)66(70)71)75(72,73)61-44-19-17-43(18-20-44)57-26-27-58-45-10-7-9-41(35-45)53-50(40-13-15-42(56)16-14-40)37-65(30-24-47(68)38-67)54(53)55(69)59-25-8-28-64-33-31-63(3)32-34-64/h4-7,9-22,35-37,46-47,57-58,60-61,67-68H,8,23-34,38-39H2,1-3H3,(H,59,69)/t46-,47+/m1/s1
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15.4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50393837
PNG
(CHEMBL2159736)
Show SMILES CNC(=O)c1c(C)n(C)c(c1-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53ClN8O5S2/c1-33-45(48(58)50-2)46(47(54(33)5)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)56-28-26-55(27-29-56)39-20-18-37(19-21-39)52-64(61,62)42-22-23-43(44(31-42)57(59)60)51-38(24-25-53(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,51-52H,24-29,32H2,1-5H3,(H,50,58)/t38-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50427831
PNG
(CHEMBL2325765)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N2CC(C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C51H57ClN8O6S2/c1-35-47(50(61)59-33-51(2,62)34-59)48(49(56(35)5)36-14-16-38(52)17-15-36)37-10-9-11-42(30-37)58-28-26-57(27-29-58)41-20-18-39(19-21-41)54-68(65,66)44-22-23-45(46(31-44)60(63)64)53-40(24-25-55(3)4)32-67-43-12-7-6-8-13-43/h6-23,30-31,40,53-54,62H,24-29,32-34H2,1-5H3/t40-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50427832
PNG
(CHEMBL2326041)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C52H59ClN8O6S2/c1-35-48(51(62)55-41-32-52(2,63)33-41)49(50(58(35)5)36-14-16-38(53)17-15-36)37-10-9-11-43(30-37)60-28-26-59(27-29-60)42-20-18-39(19-21-42)56-69(66,67)45-22-23-46(47(31-45)61(64)65)54-40(24-25-57(3)4)34-68-44-12-7-6-8-13-44/h6-23,30-31,40-41,54,56,63H,24-29,32-34H2,1-5H3,(H,55,62)/t40-,41-,52+/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50427833
PNG
(CHEMBL2326040)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(N)=O)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H51ClN8O5S2/c1-32-44(47(49)57)45(46(53(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)55-27-25-54(26-28-55)38-19-17-36(18-20-38)51-63(60,61)41-21-22-42(43(30-41)56(58)59)50-37(23-24-52(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,50-51H,23-28,31H2,1-4H3,(H2,49,57)/t37-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50393837
PNG
(CHEMBL2159736)
Show SMILES CNC(=O)c1c(C)n(C)c(c1-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53ClN8O5S2/c1-33-45(48(58)50-2)46(47(54(33)5)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)56-28-26-55(27-29-56)39-20-18-37(19-21-39)52-64(61,62)42-22-23-43(44(31-42)57(59)60)51-38(24-25-53(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,51-52H,24-29,32H2,1-5H3,(H,50,58)/t38-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50388982
PNG
(CHEMBL2063882)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C58H71ClN10O8S2/c1-63(2)27-23-46(41-78-50-11-5-4-6-12-50)61-53-22-21-51(38-54(53)69(74)75)79(76,77)62-57(72)43-15-19-47(20-16-43)66-33-35-67(36-34-66)48-10-7-9-44(37-48)55-52(42-13-17-45(59)18-14-42)39-68(28-24-49(71)40-70)56(55)58(73)60-25-8-26-65-31-29-64(3)30-32-65/h4-7,9-22,37-39,46,49,61,70-71H,8,23-36,40-41H2,1-3H3,(H,60,73)(H,62,72)/t46-,49+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50388984
PNG
(CHEMBL2063884)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)-c1cn(nn1)-c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H64ClN11O7S2/c1-62(2)27-23-44(38-75-47-11-5-4-6-12-47)58-50-22-21-48(34-52(50)67(71)72)76(73,74)60-43-19-15-40(16-20-43)51-36-66(61-59-51)45-10-7-9-41(33-45)53-49(39-13-17-42(56)18-14-39)35-65(28-24-46(69)37-68)54(53)55(70)57-25-8-26-64-31-29-63(3)30-32-64/h4-7,9-22,33-36,44,46,58,60,68-69H,8,23-32,37-38H2,1-3H3,(H,57,70)/t44-,46+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50388985
PNG
(CHEMBL2063885)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C56H63ClN8O8S2/c1-61(2)29-25-46(39-74-48-11-5-4-6-12-48)59-51-24-23-49(36-52(51)65(70)71)75(72,73)60-55(68)43-17-15-40(16-18-43)13-14-41-9-7-10-44(35-41)53-50(42-19-21-45(57)22-20-42)37-64(30-26-47(67)38-66)54(53)56(69)58-27-8-28-63-33-31-62(3)32-34-63/h4-7,9-12,15-24,35-37,46-47,59,66-67H,8,25-34,38-39H2,1-3H3,(H,58,69)(H,60,68)/t46-,47+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50388986
PNG
(CHEMBL2063886)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50388977
PNG
(CHEMBL2063887)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(NCCNc2cccc(c2)-c2c(cn(CC[C@H](O)CO)c2C(=O)NCCCN2CCN(C)CC2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C55H69ClN10O7S2/c1-62(2)29-23-46(39-74-48-11-5-4-6-12-48)60-51-22-21-49(36-52(51)66(70)71)75(72,73)61-44-19-17-43(18-20-44)57-26-27-58-45-10-7-9-41(35-45)53-50(40-13-15-42(56)16-14-40)37-65(30-24-47(68)38-67)54(53)55(69)59-25-8-28-64-33-31-63(3)32-34-64/h4-7,9-22,35-37,46-47,57-58,60-61,67-68H,8,23-34,38-39H2,1-3H3,(H,59,69)/t46-,47+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50388987
PNG
(CHEMBL2063888)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C57H71ClN10O7S2/c1-62(2)28-24-46(41-76-50-8-5-4-6-9-50)60-53-23-22-51(38-54(53)68(72)73)77(74,75)61-45-16-20-48(21-17-45)66-36-34-65(35-37-66)47-18-12-43(13-19-47)55-52(42-10-14-44(58)15-11-42)39-67(29-25-49(70)40-69)56(55)57(71)59-26-7-27-64-32-30-63(3)31-33-64/h4-6,8-23,38-39,46,49,60-61,69-70H,7,24-37,40-41H2,1-3H3,(H,59,71)/t46-,49+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388989
PNG
(CHEMBL2063892)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C54H65ClN10O5S2/c1-59(2)27-24-44(39-71-47-12-6-5-7-13-47)57-50-23-22-48(37-51(50)65(67)68)72(69,70)58-43-18-20-45(21-19-43)63-32-34-64(35-33-63)46-11-8-10-41(36-46)52-49(40-14-16-42(55)17-15-40)38-61(4)53(52)54(66)56-25-9-26-62-30-28-60(3)29-31-62/h5-8,10-23,36-38,44,57-58H,9,24-35,39H2,1-4H3,(H,56,66)/t44-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388990
PNG
(CHEMBL2063893)
Show SMILES CNC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C47H51ClN8O5S2/c1-49-47(57)46-45(42(31-53(46)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)55-27-25-54(26-28-55)38-19-17-36(18-20-38)51-63(60,61)41-21-22-43(44(30-41)56(58)59)50-37(23-24-52(2)3)32-62-40-11-6-5-7-12-40/h5-22,29-31,37,50-51H,23-28,32H2,1-4H3,(H,49,57)/t37-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388989
PNG
(CHEMBL2063892)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C54H65ClN10O5S2/c1-59(2)27-24-44(39-71-47-12-6-5-7-13-47)57-50-23-22-48(37-51(50)65(67)68)72(69,70)58-43-18-20-45(21-19-43)63-32-34-64(35-33-63)46-11-8-10-41(36-46)52-49(40-14-16-42(55)17-15-40)38-61(4)53(52)54(66)56-25-9-26-62-30-28-60(3)29-31-62/h5-8,10-23,36-38,44,57-58H,9,24-35,39H2,1-4H3,(H,56,66)/t44-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50388989
PNG
(CHEMBL2063892)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C54H65ClN10O5S2/c1-59(2)27-24-44(39-71-47-12-6-5-7-13-47)57-50-23-22-48(37-51(50)65(67)68)72(69,70)58-43-18-20-45(21-19-43)63-32-34-64(35-33-63)46-11-8-10-41(36-46)52-49(40-14-16-42(55)17-15-40)38-61(4)53(52)54(66)56-25-9-26-62-30-28-60(3)29-31-62/h5-8,10-23,36-38,44,57-58H,9,24-35,39H2,1-4H3,(H,56,66)/t44-/m1/s1
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University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50388990
PNG
(CHEMBL2063893)
Show SMILES CNC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C47H51ClN8O5S2/c1-49-47(57)46-45(42(31-53(46)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)55-27-25-54(26-28-55)38-19-17-36(18-20-38)51-63(60,61)41-21-22-43(44(30-41)56(58)59)50-37(23-24-52(2)3)32-62-40-11-6-5-7-12-40/h5-22,29-31,37,50-51H,23-28,32H2,1-4H3,(H,49,57)/t37-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388986
PNG
(CHEMBL2063886)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388977
PNG
(CHEMBL2063887)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(NCCNc2cccc(c2)-c2c(cn(CC[C@H](O)CO)c2C(=O)NCCCN2CCN(C)CC2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C55H69ClN10O7S2/c1-62(2)29-23-46(39-74-48-11-5-4-6-12-48)60-51-22-21-49(36-52(51)66(70)71)75(72,73)61-44-19-17-43(18-20-44)57-26-27-58-45-10-7-9-41(35-45)53-50(40-13-15-42(56)16-14-40)37-65(30-24-47(68)38-67)54(53)55(69)59-25-8-28-64-33-31-63(3)32-34-64/h4-7,9-22,35-37,46-47,57-58,60-61,67-68H,8,23-34,38-39H2,1-3H3,(H,59,69)/t46-,47+/m1/s1
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n/an/a 60.6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388987
PNG
(CHEMBL2063888)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C57H71ClN10O7S2/c1-62(2)28-24-46(41-76-50-8-5-4-6-9-50)60-53-23-22-51(38-54(53)68(72)73)77(74,75)61-45-16-20-48(21-17-45)66-36-34-65(35-37-66)47-18-12-43(13-19-47)55-52(42-10-14-44(58)15-11-42)39-67(29-25-49(70)40-69)56(55)57(71)59-26-7-27-64-32-30-63(3)31-33-64/h4-6,8-23,38-39,46,49,60-61,69-70H,7,24-37,40-41H2,1-3H3,(H,59,71)/t46-,49+/m1/s1
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n/an/a 33.9n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388982
PNG
(CHEMBL2063882)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C58H71ClN10O8S2/c1-63(2)27-23-46(41-78-50-11-5-4-6-12-50)61-53-22-21-51(38-54(53)69(74)75)79(76,77)62-57(72)43-15-19-47(20-16-43)66-33-35-67(36-34-66)48-10-7-9-44(37-48)55-52(42-13-17-45(59)18-14-42)39-68(28-24-49(71)40-70)56(55)58(73)60-25-8-26-65-31-29-64(3)30-32-65/h4-7,9-22,37-39,46,49,61,70-71H,8,23-36,40-41H2,1-3H3,(H,60,73)(H,62,72)/t46-,49+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388984
PNG
(CHEMBL2063884)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)-c1cn(nn1)-c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H64ClN11O7S2/c1-62(2)27-23-44(38-75-47-11-5-4-6-12-47)58-50-22-21-48(34-52(50)67(71)72)76(73,74)60-43-19-15-40(16-20-43)51-36-66(61-59-51)45-10-7-9-41(33-45)53-49(39-13-17-42(56)18-14-39)35-65(28-24-46(69)37-68)54(53)55(70)57-25-8-26-64-31-29-63(3)30-32-64/h4-7,9-22,33-36,44,46,58,60,68-69H,8,23-32,37-38H2,1-3H3,(H,57,70)/t44-,46+/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388986
PNG
(CHEMBL2063886)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1
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n/an/a 12.6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388977
PNG
(CHEMBL2063887)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(NCCNc2cccc(c2)-c2c(cn(CC[C@H](O)CO)c2C(=O)NCCCN2CCN(C)CC2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C55H69ClN10O7S2/c1-62(2)29-23-46(39-74-48-11-5-4-6-12-48)60-51-22-21-49(36-52(51)66(70)71)75(72,73)61-44-19-17-43(18-20-44)57-26-27-58-45-10-7-9-41(35-45)53-50(40-13-15-42(56)16-14-40)37-65(30-24-47(68)38-67)54(53)55(69)59-25-8-28-64-33-31-63(3)32-34-64/h4-7,9-22,35-37,46-47,57-58,60-61,67-68H,8,23-34,38-39H2,1-3H3,(H,59,69)/t46-,47+/m1/s1
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n/an/a 44.1n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388987
PNG
(CHEMBL2063888)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C57H71ClN10O7S2/c1-62(2)28-24-46(41-76-50-8-5-4-6-9-50)60-53-23-22-51(38-54(53)68(72)73)77(74,75)61-45-16-20-48(21-17-45)66-36-34-65(35-37-66)47-18-12-43(13-19-47)55-52(42-10-14-44(58)15-11-42)39-67(29-25-49(70)40-69)56(55)57(71)59-26-7-27-64-32-30-63(3)31-33-64/h4-6,8-23,38-39,46,49,60-61,69-70H,7,24-37,40-41H2,1-3H3,(H,59,71)/t46-,49+/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388982
PNG
(CHEMBL2063882)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C58H71ClN10O8S2/c1-63(2)27-23-46(41-78-50-11-5-4-6-12-50)61-53-22-21-51(38-54(53)69(74)75)79(76,77)62-57(72)43-15-19-47(20-16-43)66-33-35-67(36-34-66)48-10-7-9-44(37-48)55-52(42-13-17-45(59)18-14-42)39-68(28-24-49(71)40-70)56(55)58(73)60-25-8-26-65-31-29-64(3)30-32-65/h4-7,9-22,37-39,46,49,61,70-71H,8,23-36,40-41H2,1-3H3,(H,60,73)(H,62,72)/t46-,49+/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388985
PNG
(CHEMBL2063885)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C56H63ClN8O8S2/c1-61(2)29-25-46(39-74-48-11-5-4-6-12-48)59-51-24-23-49(36-52(51)65(70)71)75(72,73)60-55(68)43-17-15-40(16-18-43)13-14-41-9-7-10-44(35-41)53-50(42-19-21-45(57)22-20-42)37-64(30-26-47(67)38-66)54(53)56(69)58-27-8-28-63-33-31-62(3)32-34-63/h4-7,9-12,15-24,35-37,46-47,59,66-67H,8,25-34,38-39H2,1-3H3,(H,58,69)(H,60,68)/t46-,47+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388990
PNG
(CHEMBL2063893)
Show SMILES CNC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C47H51ClN8O5S2/c1-49-47(57)46-45(42(31-53(46)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)55-27-25-54(26-28-55)38-19-17-36(18-20-38)51-63(60,61)41-21-22-43(44(30-41)56(58)59)50-37(23-24-52(2)3)32-62-40-11-6-5-7-12-40/h5-22,29-31,37,50-51H,23-28,32H2,1-4H3,(H,49,57)/t37-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388984
PNG
(CHEMBL2063884)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)-c1cn(nn1)-c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H64ClN11O7S2/c1-62(2)27-23-44(38-75-47-11-5-4-6-12-47)58-50-22-21-48(34-52(50)67(71)72)76(73,74)60-43-19-15-40(16-20-43)51-36-66(61-59-51)45-10-7-9-41(33-45)53-49(39-13-17-42(56)18-14-39)35-65(28-24-46(69)37-68)54(53)55(70)57-25-8-26-64-31-29-63(3)30-32-64/h4-7,9-22,33-36,44,46,58,60,68-69H,8,23-32,37-38H2,1-3H3,(H,57,70)/t44-,46+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50427833
PNG
(CHEMBL2326040)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(N)=O)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H51ClN8O5S2/c1-32-44(47(49)57)45(46(53(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)55-27-25-54(26-28-55)38-19-17-36(18-20-38)51-63(60,61)41-21-22-42(43(30-41)56(58)59)50-37(23-24-52(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,50-51H,23-28,31H2,1-4H3,(H2,49,57)/t37-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50427832
PNG
(CHEMBL2326041)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C52H59ClN8O6S2/c1-35-48(51(62)55-41-32-52(2,63)33-41)49(50(58(35)5)36-14-16-38(53)17-15-36)37-10-9-11-43(30-37)60-28-26-59(27-29-60)42-20-18-39(19-21-42)56-69(66,67)45-22-23-46(47(31-45)61(64)65)54-40(24-25-57(3)4)34-68-44-12-7-6-8-13-44/h6-23,30-31,40-41,54,56,63H,24-29,32-34H2,1-5H3,(H,55,62)/t40-,41-,52+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50427831
PNG
(CHEMBL2325765)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N2CC(C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C51H57ClN8O6S2/c1-35-47(50(61)59-33-51(2,62)34-59)48(49(56(35)5)36-14-16-38(52)17-15-36)37-10-9-11-42(30-37)58-28-26-57(27-29-58)41-20-18-39(19-21-41)54-68(65,66)44-22-23-45(46(31-44)60(63)64)53-40(24-25-55(3)4)32-67-43-12-7-6-8-13-43/h6-23,30-31,40,53-54,62H,24-29,32-34H2,1-5H3/t40-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50393838
PNG
(CHEMBL2159735)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H67ClN10O5S2/c1-40-52(55(67)57-26-10-27-63-31-29-61(4)30-32-63)53(54(62(40)5)41-15-17-43(56)18-16-41)42-11-9-12-47(37-42)65-35-33-64(34-36-65)46-21-19-44(20-22-46)59-73(70,71)49-23-24-50(51(38-49)66(68)69)58-45(25-28-60(2)3)39-72-48-13-7-6-8-14-48/h6-9,11-24,37-38,45,58-59H,10,25-36,39H2,1-5H3,(H,57,67)/t45-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding a...


J Med Chem 55: 6149-61 (2012)


Article DOI: 10.1021/jm300608w
BindingDB Entry DOI: 10.7270/Q2J10485
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50393837
PNG
(CHEMBL2159736)
Show SMILES CNC(=O)c1c(C)n(C)c(c1-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53ClN8O5S2/c1-33-45(48(58)50-2)46(47(54(33)5)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)56-28-26-55(27-29-56)39-20-18-37(19-21-39)52-64(61,62)42-22-23-43(44(31-42)57(59)60)51-38(24-25-53(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,51-52H,24-29,32H2,1-5H3,(H,50,58)/t38-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding a...


J Med Chem 55: 6149-61 (2012)


Article DOI: 10.1021/jm300608w
BindingDB Entry DOI: 10.7270/Q2J10485
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388985
PNG
(CHEMBL2063885)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C56H63ClN8O8S2/c1-61(2)29-25-46(39-74-48-11-5-4-6-12-48)59-51-24-23-49(36-52(51)65(70)71)75(72,73)60-55(68)43-17-15-40(16-18-43)13-14-41-9-7-10-44(35-41)53-50(42-19-21-45(57)22-20-42)37-64(30-26-47(67)38-66)54(53)56(69)58-27-8-28-63-33-31-62(3)32-34-63/h4-7,9-12,15-24,35-37,46-47,59,66-67H,8,25-34,38-39H2,1-3H3,(H,58,69)(H,60,68)/t46-,47+/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50393837
PNG
(CHEMBL2159736)
Show SMILES CNC(=O)c1c(C)n(C)c(c1-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53ClN8O5S2/c1-33-45(48(58)50-2)46(47(54(33)5)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)56-28-26-55(27-29-56)39-20-18-37(19-21-39)52-64(61,62)42-22-23-43(44(31-42)57(59)60)51-38(24-25-53(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,51-52H,24-29,32H2,1-5H3,(H,50,58)/t38-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding aft...


J Med Chem 55: 6149-61 (2012)


Article DOI: 10.1021/jm300608w
BindingDB Entry DOI: 10.7270/Q2J10485
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50393838
PNG
(CHEMBL2159735)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H67ClN10O5S2/c1-40-52(55(67)57-26-10-27-63-31-29-61(4)30-32-63)53(54(62(40)5)41-15-17-43(56)18-16-41)42-11-9-12-47(37-42)65-35-33-64(34-36-65)46-21-19-44(20-22-46)59-73(70,71)49-23-24-50(51(38-49)66(68)69)58-45(25-28-60(2)3)39-72-48-13-7-6-8-14-48/h6-9,11-24,37-38,45,58-59H,10,25-36,39H2,1-5H3,(H,57,67)/t45-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding aft...


J Med Chem 55: 6149-61 (2012)


Article DOI: 10.1021/jm300608w
BindingDB Entry DOI: 10.7270/Q2J10485
More data for this
Ligand-Target Pair