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PubMed code 23448298

Compile data set for download or QSAR
Found 58 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
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50427830
PNG
(CHEMBL2325766)
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)NS(C)(=O)=O)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53ClN8O7S3/c1-33-45(48(58)52-66(5,61)62)46(47(54(33)4)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)51-67(63,64)42-22-23-43(44(31-42)57(59)60)50-38(24-25-53(2)3)32-65-41-12-7-6-8-13-41/h6-23,30-31,38,50-51H,24-29,32H2,1-5H3,(H,52,58)/t38-/m1/s1
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Article
PubMed
n/an/a 0.900n/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))
BDBM50427826
PNG
(CHEMBL2325770)
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)=O)c(n(C)c1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C47H47ClF3N7O6S2/c1-54(2)23-22-35(30-65-38-10-5-4-6-11-38)52-40-21-20-39(29-41(40)58(61)62)66(63,64)53-34-16-18-36(19-17-34)56-24-26-57(27-25-56)37-9-7-8-32(28-37)42-43(46(59)60)45(47(49,50)51)55(3)44(42)31-12-14-33(48)15-13-31/h4-21,28-29,35,52-53H,22-27,30H2,1-3H3,(H,59,60)/t35-/m1/s1
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n/an/a 1.10n/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))
BDBM50393833
PNG
(CHEMBL2159737)
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)=O)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H50ClN7O6S2/c1-32-44(47(56)57)45(46(52(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-63(60,61)41-21-22-42(43(30-41)55(58)59)49-37(23-24-51(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3,(H,56,57)/t37-/m1/s1
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n/an/a 1.30n/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))
BDBM50393831
PNG
(CHEMBL2159740)
Show SMILES CC(C)n1c(C)c(C(O)=O)c(c1-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/C49H54ClN7O6S2/c1-33(2)56-34(3)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(30-36)55-28-26-54(27-29-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(31-43)57(60)61)51-39(24-25-53(4)5)32-64-42-12-7-6-8-13-42/h6-23,30-31,33,39,51-52H,24-29,32H2,1-5H3,(H,58,59)/t39-/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 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))
BDBM50427825
PNG
(CHEMBL2325771)
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)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H47Cl2N7O6S2/c1-51(2)23-22-35(30-62-38-10-5-4-6-11-38)49-40-21-20-39(29-41(40)55(58)59)63(60,61)50-34-16-18-36(19-17-34)53-24-26-54(27-25-53)37-9-7-8-32(28-37)42-43(46(56)57)45(48)52(3)44(42)31-12-14-33(47)15-13-31/h4-21,28-29,35,49-50H,22-27,30H2,1-3H3,(H,56,57)/t35-/m1/s1
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n/an/a 1.5n/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))
BDBM50427812
PNG
(BM-1075 | CHEMBL2325763)
Show SMILES CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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/C49H55ClN8O7S3/c1-6-57-34(2)46(49(59)53-67(5,62)63)47(48(57)35-15-17-37(50)18-16-35)36-11-10-12-41(31-36)56-29-27-55(28-30-56)40-21-19-38(20-22-40)52-68(64,65)43-23-24-44(45(32-43)58(60)61)51-39(25-26-54(3)4)33-66-42-13-8-7-9-14-42/h7-24,31-32,39,51-52H,6,25-30,33H2,1-5H3,(H,53,59)/t39-/m1/s1
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n/an/a 1.80n/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))
BDBM50427811
PNG
(BM-1074 | CHEMBL2325764)
Show SMILES CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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/C50H57ClN8O7S3/c1-34(2)58-35(3)47(50(60)54-68(6,63)64)48(49(58)36-15-17-38(51)18-16-36)37-11-10-12-42(31-37)57-29-27-56(28-30-57)41-21-19-39(20-22-41)53-69(65,66)44-23-24-45(46(32-44)59(61)62)52-40(25-26-55(4)5)33-67-43-13-8-7-9-14-43/h7-24,31-32,34,40,52-53H,25-30,33H2,1-6H3,(H,54,60)/t40-/m1/s1
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n/an/a 1.80n/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))
BDBM50393832
PNG
(CHEMBL2159739)
Show SMILES CCn1c(C)c(C(O)=O)c(c1-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/C48H52ClN7O6S2/c1-5-55-33(2)45(48(57)58)46(47(55)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)54-28-26-53(27-29-54)39-20-18-37(19-21-39)51-64(61,62)42-22-23-43(44(31-42)56(59)60)50-38(24-25-52(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,50-51H,5,24-29,32H2,1-4H3,(H,57,58)/t38-/m1/s1
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n/an/a 2n/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))
BDBM50427816
PNG
(CHEMBL2325759)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H47ClN8O6S2/c1-50(2)23-22-35(30-61-38-10-5-4-6-11-38)47-40-21-20-39(29-41(40)54(57)58)62(59,60)49-34-16-18-36(19-17-34)52-24-26-53(27-25-52)37-9-7-8-32(28-37)42-43(31-12-14-33(46)15-13-31)48-51(3)44(42)45(55)56/h4-21,28-29,35,47,49H,22-27,30H2,1-3H3,(H,55,56)/t35-/m1/s1
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PubMed
n/an/a 3.70n/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))
BDBM50427815
PNG
(CHEMBL2325760)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(oc(C)c1C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H47ClN6O7S2/c1-31-43(46(54)55)44(45(60-31)32-12-14-34(47)15-13-32)33-8-7-9-38(28-33)52-26-24-51(25-27-52)37-18-16-35(17-19-37)49-62(58,59)40-20-21-41(42(29-40)53(56)57)48-36(22-23-50(2)3)30-61-39-10-5-4-6-11-39/h4-21,28-29,36,48-49H,22-27,30H2,1-3H3,(H,54,55)/t36-/m1/s1
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n/an/a 3.80n/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))
BDBM50427819
PNG
(CHEMBL2326039)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(ncn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C45H48ClN9O7S3/c1-51(2)23-22-35(30-63-39-10-5-4-6-11-39)48-41-21-20-40(29-42(41)55(57)58)65(61,62)49-34-14-18-36(19-15-34)52-24-26-53(27-25-52)38-9-7-8-32(28-38)44-43(45(56)50-64(3,59)60)47-31-54(44)37-16-12-33(46)13-17-37/h4-21,28-29,31,35,48-49H,22-27,30H2,1-3H3,(H,50,56)/t35-/m1/s1
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n/an/a 3.80n/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
Bcl-xL/BAK


(Homo sapiens)
BDBM50427827
PNG
(CHEMBL2325769)
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)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H49ClN8O4S2/c1-33-43(31-49)46(47(53(33)4)34-13-15-36(48)16-14-34)35-9-8-10-40(29-35)55-27-25-54(26-28-55)39-19-17-37(18-20-39)51-62(59,60)42-21-22-44(45(30-42)56(57)58)50-38(23-24-52(2)3)32-61-41-11-6-5-7-12-41/h5-22,29-30,38,50-51H,23-28,32H2,1-4H3/t38-/m1/s1
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n/an/a 4.5n/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-xL/BAK


(Homo sapiens)
BDBM50427825
PNG
(CHEMBL2325771)
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)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H47Cl2N7O6S2/c1-51(2)23-22-35(30-62-38-10-5-4-6-11-38)49-40-21-20-39(29-41(40)55(58)59)63(60,61)50-34-16-18-36(19-17-34)53-24-26-54(27-25-53)37-9-7-8-32(28-37)42-43(46(56)57)45(48)52(3)44(42)31-12-14-33(47)15-13-31/h4-21,28-29,35,49-50H,22-27,30H2,1-3H3,(H,56,57)/t35-/m1/s1
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n/an/a 4.70n/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-xL/BAK


(Homo sapiens)
BDBM50427815
PNG
(CHEMBL2325760)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(oc(C)c1C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H47ClN6O7S2/c1-31-43(46(54)55)44(45(60-31)32-12-14-34(47)15-13-32)33-8-7-9-38(28-33)52-26-24-51(25-27-52)37-18-16-35(17-19-37)49-62(58,59)40-20-21-41(42(29-40)53(56)57)48-36(22-23-50(2)3)30-61-39-10-5-4-6-11-39/h4-21,28-29,36,48-49H,22-27,30H2,1-3H3,(H,54,55)/t36-/m1/s1
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n/an/a 4.70n/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-xL/BAK


(Homo sapiens)
BDBM50393831
PNG
(CHEMBL2159740)
Show SMILES CC(C)n1c(C)c(C(O)=O)c(c1-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/C49H54ClN7O6S2/c1-33(2)56-34(3)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(30-36)55-28-26-54(27-29-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(31-43)57(60)61)51-39(24-25-53(4)5)32-64-42-12-7-6-8-13-42/h6-23,30-31,33,39,51-52H,24-29,32H2,1-5H3,(H,58,59)/t39-/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 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-xL/BAK


(Homo sapiens)
BDBM50427818
PNG
(CHEMBL2325757)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cnn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C45H48ClN9O7S3/c1-51(2)23-22-35(31-63-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)55(57)58)65(61,62)49-34-14-18-36(19-15-34)52-24-26-53(27-25-52)38-9-7-8-32(28-38)44-41(45(56)50-64(3,59)60)30-47-54(44)37-16-12-33(46)13-17-37/h4-21,28-30,35,48-49H,22-27,31H2,1-3H3,(H,50,56)/t35-/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 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-xL/BAK


(Homo sapiens)
BDBM50427830
PNG
(CHEMBL2325766)
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)NS(C)(=O)=O)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53ClN8O7S3/c1-33-45(48(58)52-66(5,61)62)46(47(54(33)4)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)51-67(63,64)42-22-23-43(44(31-42)57(59)60)50-38(24-25-53(2)3)32-65-41-12-7-6-8-13-41/h6-23,30-31,38,50-51H,24-29,32H2,1-5H3,(H,52,58)/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 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))
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
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50427818
PNG
(CHEMBL2325757)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cnn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C45H48ClN9O7S3/c1-51(2)23-22-35(31-63-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)55(57)58)65(61,62)49-34-14-18-36(19-15-34)52-24-26-53(27-25-52)38-9-7-8-32(28-38)44-41(45(56)50-64(3,59)60)30-47-54(44)37-16-12-33(46)13-17-37/h4-21,28-30,35,48-49H,22-27,31H2,1-3H3,(H,50,56)/t35-/m1/s1
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n/an/a 5.40n/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))
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
Bcl-xL/BAK


(Homo sapiens)
BDBM50427816
PNG
(CHEMBL2325759)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H47ClN8O6S2/c1-50(2)23-22-35(30-61-38-10-5-4-6-11-38)47-40-21-20-39(29-41(40)54(57)58)62(59,60)49-34-16-18-36(19-17-34)52-24-26-53(27-25-52)37-9-7-8-32(28-37)42-43(31-12-14-33(46)15-13-31)48-51(3)44(42)45(55)56/h4-21,28-29,35,47,49H,22-27,30H2,1-3H3,(H,55,56)/t35-/m1/s1
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n/an/a 5.90n/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-xL/BAK


(Homo sapiens)
BDBM50427826
PNG
(CHEMBL2325770)
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)=O)c(n(C)c1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C47H47ClF3N7O6S2/c1-54(2)23-22-35(30-65-38-10-5-4-6-11-38)52-40-21-20-39(29-41(40)58(61)62)66(63,64)53-34-16-18-36(19-17-34)56-24-26-57(27-25-56)37-9-7-8-32(28-37)42-43(46(59)60)45(47(49,50)51)55(3)44(42)31-12-14-33(48)15-13-31/h4-21,28-29,35,52-53H,22-27,30H2,1-3H3,(H,59,60)/t35-/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
Bcl-xL/BAK


(Homo sapiens)
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
Bcl-xL/BAK


(Homo sapiens)
BDBM50393833
PNG
(CHEMBL2159737)
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)=O)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H50ClN7O6S2/c1-32-44(47(56)57)45(46(52(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-63(60,61)41-21-22-42(43(30-41)55(58)59)49-37(23-24-51(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3,(H,56,57)/t37-/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
Bcl-xL/BAK


(Homo sapiens)
BDBM50427817
PNG
(CHEMBL2325758)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C45H47ClN8O6S2/c1-50(2)23-22-35(30-61-38-10-5-4-6-11-38)47-40-21-20-39(29-41(40)54(57)58)62(59,60)49-34-16-18-36(19-17-34)52-24-26-53(27-25-52)37-9-7-8-32(28-37)42-43(45(55)56)48-51(3)44(42)31-12-14-33(46)15-13-31/h4-21,28-29,35,47,49H,22-27,30H2,1-3H3,(H,55,56)/t35-/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 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-xL/BAK


(Homo sapiens)
BDBM50393832
PNG
(CHEMBL2159739)
Show SMILES CCn1c(C)c(C(O)=O)c(c1-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/C48H52ClN7O6S2/c1-5-55-33(2)45(48(57)58)46(47(55)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)54-28-26-53(27-29-54)39-20-18-37(19-21-39)51-64(61,62)42-22-23-43(44(31-42)56(59)60)50-38(24-25-52(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,50-51H,5,24-29,32H2,1-4H3,(H,57,58)/t38-/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 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-xL/BAK


(Homo sapiens)
BDBM50427811
PNG
(BM-1074 | CHEMBL2325764)
Show SMILES CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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/C50H57ClN8O7S3/c1-34(2)58-35(3)47(50(60)54-68(6,63)64)48(49(58)36-15-17-38(51)18-16-36)37-11-10-12-42(31-37)57-29-27-56(28-30-57)41-21-19-39(20-22-41)53-69(65,66)44-23-24-45(46(32-44)59(61)62)52-40(25-26-55(4)5)33-67-43-13-8-7-9-14-43/h7-24,31-32,34,40,52-53H,25-30,33H2,1-6H3,(H,54,60)/t40-/m1/s1
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n/an/a 6.90n/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-xL/BAK


(Homo sapiens)
BDBM50427812
PNG
(BM-1075 | CHEMBL2325763)
Show SMILES CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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/C49H55ClN8O7S3/c1-6-57-34(2)46(49(59)53-67(5,62)63)47(48(57)35-15-17-37(50)18-16-35)36-11-10-12-41(31-36)56-29-27-55(28-30-56)40-21-19-38(20-22-40)52-68(64,65)43-23-24-44(45(32-43)58(60)61)51-39(25-26-54(3)4)33-66-42-13-8-7-9-14-42/h7-24,31-32,39,51-52H,6,25-30,33H2,1-5H3,(H,53,59)/t39-/m1/s1
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n/an/a 7n/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))
BDBM50427817
PNG
(CHEMBL2325758)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C45H47ClN8O6S2/c1-50(2)23-22-35(30-61-38-10-5-4-6-11-38)47-40-21-20-39(29-41(40)54(57)58)62(59,60)49-34-16-18-36(19-17-34)52-24-26-53(27-25-52)37-9-7-8-32(28-37)42-43(45(55)56)48-51(3)44(42)31-12-14-33(46)15-13-31/h4-21,28-29,35,47,49H,22-27,30H2,1-3H3,(H,55,56)/t35-/m1/s1
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n/an/a 7.10n/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
Bcl-xL/BAK


(Homo sapiens)
BDBM50427814
PNG
(CHEMBL2325761)
Show SMILES CCCn1c(C)c(C(O)=O)c(c1-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/C49H54ClN7O6S2/c1-5-25-56-34(2)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(31-36)55-29-27-54(28-30-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(32-43)57(60)61)51-39(24-26-53(3)4)33-64-42-12-7-6-8-13-42/h6-23,31-32,39,51-52H,5,24-30,33H2,1-4H3,(H,58,59)/t39-/m1/s1
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n/an/a 8.20n/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-xL/BAK


(Homo sapiens)
BDBM50427819
PNG
(CHEMBL2326039)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(ncn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C45H48ClN9O7S3/c1-51(2)23-22-35(30-63-39-10-5-4-6-11-39)48-41-21-20-40(29-42(41)55(57)58)65(61,62)49-34-14-18-36(19-15-34)52-24-26-53(27-25-52)38-9-7-8-32(28-38)44-43(45(56)50-64(3,59)60)47-31-54(44)37-16-12-33(46)13-17-37/h4-21,28-29,31,35,48-49H,22-27,30H2,1-3H3,(H,50,56)/t35-/m1/s1
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n/an/a 8.30n/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-xL/BAK


(Homo sapiens)
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
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50427814
PNG
(CHEMBL2325761)
Show SMILES CCCn1c(C)c(C(O)=O)c(c1-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/C49H54ClN7O6S2/c1-5-25-56-34(2)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(31-36)55-29-27-54(28-30-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(32-43)57(60)61)51-39(24-26-53(3)4)33-64-42-12-7-6-8-13-42/h6-23,31-32,39,51-52H,5,24-30,33H2,1-4H3,(H,58,59)/t39-/m1/s1
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n/an/a 10n/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
Bcl-xL/BAK


(Homo sapiens)
BDBM50393836
PNG
(CHEMBL2159738)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cc(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClN7O4S2/c1-33-29-43(46(51(33)4)34-13-15-36(47)16-14-34)35-9-8-10-40(30-35)53-27-25-52(26-28-53)39-19-17-37(18-20-39)49-60(57,58)42-21-22-44(45(31-42)54(55)56)48-38(23-24-50(2)3)32-59-41-11-6-5-7-12-41/h5-22,29-31,38,48-49H,23-28,32H2,1-4H3/t38-/m1/s1
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n/an/a 11n/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-xL/BAK


(Homo sapiens)
BDBM50427829
PNG
(CHEMBL2325767)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(Cl)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49Cl2N7O4S2/c1-32-45(48)44(46(52(32)4)33-13-15-35(47)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-61(58,59)41-21-22-42(43(30-41)55(56)57)49-37(23-24-51(2)3)31-60-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3/t37-/m1/s1
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n/an/a 12n/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-xL/BAK


(Homo sapiens)
BDBM50427828
PNG
(CHEMBL2325768)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(-c2ccc(Cl)cc2)n(C)c(C)c1C(F)(F)F
Show InChI InChI=1S/C47H49ClF3N7O4S2/c1-32-45(47(49,50)51)44(46(55(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)57-27-25-56(26-28-57)38-19-17-36(18-20-38)53-64(61,62)41-21-22-42(43(30-41)58(59)60)52-37(23-24-54(2)3)31-63-40-11-6-5-7-12-40/h5-22,29-30,37,52-53H,23-28,31H2,1-4H3/t37-/m1/s1
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n/an/a 13n/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-xL/BAK


(Homo sapiens)
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-xL/BAK


(Homo sapiens)
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-xL/BAK


(Homo sapiens)
BDBM50427822
PNG
(CHEMBL2325774)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cnn(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN8O4S2/c1-49(2)23-22-36(31-58-39-10-5-4-6-11-39)47-42-21-20-40(29-43(42)53(54)55)59(56,57)48-35-16-18-37(19-17-35)51-24-26-52(27-25-51)38-9-7-8-33(28-38)41-30-46-50(3)44(41)32-12-14-34(45)15-13-32/h4-21,28-30,36,47-48H,22-27,31H2,1-3H3/t36-/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-xL/BAK


(Homo sapiens)
BDBM50427813
PNG
(CHEMBL2325762)
Show SMILES CCCCn1c(C)c(C(O)=O)c(c1-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/C50H56ClN7O6S2/c1-5-6-26-57-35(2)47(50(59)60)48(49(57)36-15-17-38(51)18-16-36)37-11-10-12-42(32-37)56-30-28-55(29-31-56)41-21-19-39(20-22-41)53-66(63,64)44-23-24-45(46(33-44)58(61)62)52-40(25-27-54(3)4)34-65-43-13-8-7-9-14-43/h7-24,32-33,40,52-53H,5-6,25-31,34H2,1-4H3,(H,59,60)/t40-/m1/s1
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n/an/a 16n/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))
BDBM50427827
PNG
(CHEMBL2325769)
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)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H49ClN8O4S2/c1-33-43(31-49)46(47(53(33)4)34-13-15-36(48)16-14-34)35-9-8-10-40(29-35)55-27-25-54(26-28-55)39-19-17-37(18-20-39)51-62(59,60)42-21-22-44(45(30-42)56(57)58)50-38(23-24-52(2)3)32-61-41-11-6-5-7-12-41/h5-22,29-30,38,50-51H,23-28,32H2,1-4H3/t38-/m1/s1
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n/an/a 17n/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
Bcl-xL/BAK


(Homo sapiens)
BDBM50427824
PNG
(CHEMBL2325772)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cncn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C43H45ClN8O4S2/c1-48(2)22-21-35(30-57-39-9-4-3-5-10-39)46-41-20-19-40(28-42(41)52(53)54)58(55,56)47-34-13-17-36(18-14-34)49-23-25-50(26-24-49)38-8-6-7-32(27-38)43-29-45-31-51(43)37-15-11-33(44)12-16-37/h3-20,27-29,31,35,46-47H,21-26,30H2,1-2H3/t35-/m1/s1
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n/an/a 18n/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))
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
Bcl-xL/BAK


(Homo sapiens)
BDBM50427820
PNG
(CHEMBL2326038)
Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c[n-][o+]c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C43H44ClN7O5S2/c1-48(2)22-21-35(30-57-38-9-4-3-5-10-38)46-41-20-19-39(28-42(41)51(52)53)58(54,55)47-34-15-17-36(18-16-34)49-23-25-50(26-24-49)37-8-6-7-32(27-37)40-29-45-56-43(40)31-11-13-33(44)14-12-31/h3-20,27-29,35,46-47H,21-26,30H2,1-2H3
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n/an/a 22n/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))
BDBM50427813
PNG
(CHEMBL2325762)
Show SMILES CCCCn1c(C)c(C(O)=O)c(c1-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/C50H56ClN7O6S2/c1-5-6-26-57-35(2)47(50(59)60)48(49(57)36-15-17-38(51)18-16-36)37-11-10-12-42(32-37)56-30-28-55(29-31-56)41-21-19-39(20-22-41)53-66(63,64)44-23-24-45(46(33-44)58(61)62)52-40(25-27-54(3)4)34-65-43-13-8-7-9-14-43/h7-24,32-33,40,52-53H,5-6,25-31,34H2,1-4H3,(H,59,60)/t40-/m1/s1
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n/an/a 23n/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
Bcl-xL/BAK


(Homo sapiens)
BDBM50427821
PNG
(CHEMBL2326037)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN8O4S2/c1-49(2)23-22-36(31-58-39-10-5-4-6-11-39)46-42-21-20-40(29-43(42)53(54)55)59(56,57)48-35-16-18-37(19-17-35)51-24-26-52(27-25-51)38-9-7-8-33(28-38)41-30-50(3)47-44(41)32-12-14-34(45)15-13-32/h4-21,28-30,36,46,48H,22-27,31H2,1-3H3/t36-/m1/s1
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n/an/a 26n/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-xL/BAK


(Homo sapiens)
BDBM50427823
PNG
(CHEMBL2325773)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1ccnn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C43H45ClN8O4S2/c1-48(2)24-22-35(31-57-39-9-4-3-5-10-39)46-41-20-19-40(30-43(41)52(53)54)58(55,56)47-34-13-17-36(18-14-34)49-25-27-50(28-26-49)38-8-6-7-32(29-38)42-21-23-45-51(42)37-15-11-33(44)12-16-37/h3-21,23,29-30,35,46-47H,22,24-28,31H2,1-2H3/t35-/m1/s1
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n/an/a 32n/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))
BDBM50427824
PNG
(CHEMBL2325772)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cncn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C43H45ClN8O4S2/c1-48(2)22-21-35(30-57-39-9-4-3-5-10-39)46-41-20-19-40(28-42(41)52(53)54)58(55,56)47-34-13-17-36(18-14-34)49-23-25-50(26-24-49)38-8-6-7-32(27-38)43-29-45-31-51(43)37-15-11-33(44)12-16-37/h3-20,27-29,31,35,46-47H,21-26,30H2,1-2H3/t35-/m1/s1
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n/an/a 46n/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))
BDBM50393836
PNG
(CHEMBL2159738)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cc(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClN7O4S2/c1-33-29-43(46(51(33)4)34-13-15-36(47)16-14-34)35-9-8-10-40(30-35)53-27-25-52(26-28-53)39-19-17-37(18-20-39)49-60(57,58)42-21-22-44(45(31-42)54(55)56)48-38(23-24-50(2)3)32-59-41-11-6-5-7-12-41/h5-22,29-31,38,48-49H,23-28,32H2,1-4H3/t38-/m1/s1
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n/an/a 99n/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))
BDBM50427823
PNG
(CHEMBL2325773)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1ccnn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C43H45ClN8O4S2/c1-48(2)24-22-35(31-57-39-9-4-3-5-10-39)46-41-20-19-40(30-43(41)52(53)54)58(55,56)47-34-13-17-36(18-14-34)49-25-27-50(28-26-49)38-8-6-7-32(29-38)42-21-23-45-51(42)37-15-11-33(44)12-16-37/h3-21,23,29-30,35,46-47H,22,24-28,31H2,1-2H3/t35-/m1/s1
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n/an/a 110n/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))
BDBM50427821
PNG
(CHEMBL2326037)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)nc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN8O4S2/c1-49(2)23-22-36(31-58-39-10-5-4-6-11-39)46-42-21-20-40(29-43(42)53(54)55)59(56,57)48-35-16-18-37(19-17-35)51-24-26-52(27-25-51)38-9-7-8-33(28-38)41-30-50(3)47-44(41)32-12-14-34(45)15-13-32/h4-21,28-30,36,46,48H,22-27,31H2,1-3H3/t36-/m1/s1
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n/an/a 140n/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))
BDBM50427822
PNG
(CHEMBL2325774)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cnn(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN8O4S2/c1-49(2)23-22-36(31-58-39-10-5-4-6-11-39)47-42-21-20-40(29-43(42)53(54)55)59(56,57)48-35-16-18-37(19-17-35)51-24-26-52(27-25-51)38-9-7-8-33(28-38)41-30-46-50(3)44(41)32-12-14-34(45)15-13-32/h4-21,28-30,36,47-48H,22-27,31H2,1-3H3/t36-/m1/s1
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n/an/a 210n/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))
BDBM50427829
PNG
(CHEMBL2325767)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(Cl)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49Cl2N7O4S2/c1-32-45(48)44(46(52(32)4)33-13-15-35(47)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-61(58,59)41-21-22-42(43(30-41)55(56)57)49-37(23-24-51(2)3)31-60-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3/t37-/m1/s1
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n/an/a 260n/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))
BDBM50427828
PNG
(CHEMBL2325768)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(-c2ccc(Cl)cc2)n(C)c(C)c1C(F)(F)F
Show InChI InChI=1S/C47H49ClF3N7O4S2/c1-32-45(47(49,50)51)44(46(55(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)57-27-25-56(26-28-57)38-19-17-36(18-20-38)53-64(61,62)41-21-22-42(43(30-41)58(59)60)52-37(23-24-54(2)3)31-63-40-11-6-5-7-12-40/h5-22,29-30,37,52-53H,23-28,31H2,1-4H3/t37-/m1/s1
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n/an/a 271n/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))
BDBM50427820
PNG
(CHEMBL2326038)
Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c[n-][o+]c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C43H44ClN7O5S2/c1-48(2)22-21-35(30-57-38-9-4-3-5-10-38)46-41-20-19-39(28-42(41)51(52)53)58(54,55)47-34-15-17-36(18-16-34)49-23-25-50(26-24-49)37-8-6-7-32(27-37)40-29-45-56-43(40)31-11-13-33(44)14-12-31/h3-20,27-29,35,46-47H,21-26,30H2,1-2H3
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n/an/a 350n/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))
BDBM50427812
PNG
(BM-1075 | CHEMBL2325763)
Show SMILES CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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/C49H55ClN8O7S3/c1-6-57-34(2)46(49(59)53-67(5,62)63)47(48(57)35-15-17-37(50)18-16-35)36-11-10-12-41(31-36)56-29-27-55(28-30-56)40-21-19-38(20-22-40)52-68(64,65)43-23-24-44(45(32-43)58(60)61)51-39(25-26-54(3)4)33-66-42-13-8-7-9-14-42/h7-24,31-32,39,51-52H,6,25-30,33H2,1-5H3,(H,53,59)/t39-/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 MCL1 (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))
BDBM50427811
PNG
(BM-1074 | CHEMBL2325764)
Show SMILES CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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/C50H57ClN8O7S3/c1-34(2)58-35(3)47(50(60)54-68(6,63)64)48(49(58)36-15-17-38(51)18-16-36)37-11-10-12-42(31-37)57-29-27-56(28-30-57)41-21-19-39(20-22-41)53-69(65,66)44-23-24-45(46(32-44)59(61)62)52-40(25-26-55(4)5)33-67-43-13-8-7-9-14-43/h7-24,31-32,34,40,52-53H,25-30,33H2,1-6H3,(H,54,60)/t40-/m1/s1
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Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to MCL1 (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
* indicates data uncertainty>20%