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Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50040088   
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))		BDBM50388994
PNG
(CHEMBL2063897)
Show SMILES CCc1c(c(c(C(O)=O)n1C)-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 |r|
Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-43-45(33-14-16-35(49)17-15-33)46(47(48(57)58)53(43)4)34-10-9-11-39(30-34)55-28-26-54(27-29-55)38-20-18-36(19-21-38)51-64(61,62)41-22-23-42(44(31-41)56(59)60)50-37(24-25-52(2)3)32-63-40-12-7-6-8-13-40/h6-23,30-31,37,50-51H,5,24-29,32H2,1-4H3,(H,57,58)/t37-/m1/s1
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 0.800n/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))		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 |r|
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 |r|
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))		BDBM50388992
PNG
(CHEMBL2063895)
Show SMILES CCOC(=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 |r|
Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-62-48(57)47-46(43(32-53(47)4)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)55-28-26-54(27-29-55)39-20-18-37(19-21-39)51-64(60,61)42-22-23-44(45(31-42)56(58)59)50-38(24-25-52(2)3)33-63-41-12-7-6-8-13-41/h6-23,30-32,38,50-51H,5,24-29,33H2,1-4H3/t38-/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
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 |r|
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 |r|
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
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50388991
PNG
(CHEMBL2063894)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)cc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C45H48ClN7O4S2/c1-49(2)23-22-37(32-58-40-10-5-4-6-11-40)47-44-21-20-41(29-45(44)53(54)55)59(56,57)48-36-16-18-38(19-17-36)51-24-26-52(27-25-51)39-9-7-8-34(28-39)43-31-50(3)30-42(43)33-12-14-35(46)15-13-33/h4-21,28-31,37,47-48H,22-27,32H2,1-3H3/t37-/m1/s1
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 8.30n/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))		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 |r|
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 |r|
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))		BDBM50388992
PNG
(CHEMBL2063895)
Show SMILES CCOC(=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 |r|
Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-62-48(57)47-46(43(32-53(47)4)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)55-28-26-54(27-29-55)39-20-18-37(19-21-39)51-64(60,61)42-22-23-44(45(31-42)56(58)59)50-38(24-25-52(2)3)33-63-41-12-7-6-8-13-41/h6-23,30-32,38,50-51H,5,24-29,33H2,1-4H3/t38-/m1/s1
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 11.6n/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))		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 |r|
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50388991
PNG
(CHEMBL2063894)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)cc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C45H48ClN7O4S2/c1-49(2)23-22-37(32-58-40-10-5-4-6-11-40)47-44-21-20-41(29-45(44)53(54)55)59(56,57)48-36-16-18-38(19-17-36)51-24-26-52(27-25-51)39-9-7-8-34(28-39)43-31-50(3)30-42(43)33-12-14-35(46)15-13-33/h4-21,28-31,37,47-48H,22-27,32H2,1-3H3/t37-/m1/s1
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 21.1n/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))		BDBM50388988
PNG
(CHEMBL2063889)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C41H45ClN6O4S2/c1-45(2)23-22-35(30-53-37-9-4-3-5-10-37)43-40-21-20-38(28-41(40)48(49)50)54(51,52)44-34-16-18-36(19-17-34)47-26-24-46(25-27-47)29-32-8-6-7-11-39(32)31-12-14-33(42)15-13-31/h3-21,28,35,43-44H,22-27,29-30H2,1-2H3/t35-/m1/s1
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 21.8n/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))		BDBM50388988
PNG
(CHEMBL2063889)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C41H45ClN6O4S2/c1-45(2)23-22-35(30-53-37-9-4-3-5-10-37)43-40-21-20-38(28-41(40)48(49)50)54(51,52)44-34-16-18-36(19-17-34)47-26-24-46(25-27-47)29-32-8-6-7-11-39(32)31-12-14-33(42)15-13-31/h3-21,28,35,43-44H,22-27,29-30H2,1-2H3/t35-/m1/s1
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 24.7n/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
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50388979
PNG
(CHEMBL2063891)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCNCC1 |r|
Show InChI InChI=1S/C28H36N6O4S2/c1-32(2)17-14-23(21-39-25-6-4-3-5-7-25)30-27-13-12-26(20-28(27)34(35)36)40(37,38)31-22-8-10-24(11-9-22)33-18-15-29-16-19-33/h3-13,20,23,29-31H,14-19,21H2,1-2H3/t23-/m1/s1
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 5.70E+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
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50388981
PNG
(CHEMBL2063881)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C18H24N4O4S2/c1-21(2)11-10-14(13-27-15-6-4-3-5-7-15)20-17-9-8-16(28(19,25)26)12-18(17)22(23)24/h3-9,12,14,20H,10-11,13H2,1-2H3,(H2,19,25,26)/t14-/m1/s1
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 7.50E+4n/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))		BDBM50388980
PNG
(CHEMBL2063880)
Show SMILES CN1CCN(CCCNC(=O)c2c(c(cn2CC[C@H](O)CO)-c2ccc(Cl)cc2)-c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H37ClN4O3/c1-32-16-18-33(19-17-32)14-5-13-31-29(37)28-27(23-6-3-2-4-7-23)26(22-8-10-24(30)11-9-22)20-34(28)15-12-25(36)21-35/h2-4,6-11,20,25,35-36H,5,12-19,21H2,1H3,(H,31,37)/t25-/m0/s1
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 7.80E+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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50388979
PNG
(CHEMBL2063891)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCNCC1 |r|
Show InChI InChI=1S/C28H36N6O4S2/c1-32(2)17-14-23(21-39-25-6-4-3-5-7-25)30-27-13-12-26(20-28(27)34(35)36)40(37,38)31-22-8-10-24(11-9-22)33-18-15-29-16-19-33/h3-13,20,23,29-31H,14-19,21H2,1-2H3/t23-/m1/s1
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 1.38E+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))		BDBM50388980
PNG
(CHEMBL2063880)
Show SMILES CN1CCN(CCCNC(=O)c2c(c(cn2CC[C@H](O)CO)-c2ccc(Cl)cc2)-c2ccccc2)CC1 |r|
Show InChI InChI=1S/C29H37ClN4O3/c1-32-16-18-33(19-17-32)14-5-13-31-29(37)28-27(23-6-3-2-4-7-23)26(22-8-10-24(30)11-9-22)20-34(28)15-12-25(36)21-35/h2-4,6-11,20,25,35-36H,5,12-19,21H2,1H3,(H,31,37)/t25-/m0/s1
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 1.38E+5n/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
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50388978
PNG
(CHEMBL2063890)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C24H28N4O4S2/c1-27(2)16-15-20(18-33-21-11-7-4-8-12-21)25-23-14-13-22(17-24(23)28(29)30)34(31,32)26-19-9-5-3-6-10-19/h3-14,17,20,25-26H,15-16,18H2,1-2H3/t20-/m1/s1
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 1.66E+5n/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))		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 |r|
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))		BDBM50388983
PNG
(CHEMBL2063883)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C57H71ClN10O7S2/c1-62(2)27-23-46(41-76-50-11-5-4-6-12-50)60-53-22-21-51(38-54(53)68(72)73)77(74,75)61-45-17-19-47(20-18-45)65-33-35-66(36-34-65)48-10-7-9-43(37-48)55-52(42-13-15-44(58)16-14-42)39-67(28-24-49(70)40-69)56(55)57(71)59-25-8-26-64-31-29-63(3)30-32-64/h4-7,9-22,37-39,46,49,60-61,69-70H,8,23-36,40-41H2,1-3H3,(H,59,71)/t46-,49+/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 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))		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 |r|
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50388993
PNG
(CHEMBL2063896)
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)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C46H48ClN7O6S2/c1-50(2)23-22-36(31-61-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)54(57)58)62(59,60)49-35-16-18-37(19-17-35)52-24-26-53(27-25-52)38-9-7-8-33(28-38)44-41(30-51(3)45(44)46(55)56)32-12-14-34(47)15-13-32/h4-21,28-30,36,48-49H,22-27,31H2,1-3H3,(H,55,56)/t36-/m1/s1
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n/an/a 1.70n/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 |r|
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/a 2n/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))		BDBM50388993
PNG
(CHEMBL2063896)
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)=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C46H48ClN7O6S2/c1-50(2)23-22-36(31-61-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)54(57)58)62(59,60)49-35-16-18-37(19-17-35)52-24-26-53(27-25-52)38-9-7-8-33(28-38)44-41(30-51(3)45(44)46(55)56)32-12-14-34(47)15-13-32/h4-21,28-30,36,48-49H,22-27,31H2,1-3H3,(H,55,56)/t36-/m1/s1
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n/an/a 3.60n/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))		BDBM50388994
PNG
(CHEMBL2063897)
Show SMILES CCc1c(c(c(C(O)=O)n1C)-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 |r|
Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-43-45(33-14-16-35(49)17-15-33)46(47(48(57)58)53(43)4)34-10-9-11-39(30-34)55-28-26-54(27-29-55)38-20-18-36(19-21-38)51-64(61,62)41-22-23-42(44(31-41)56(59)60)50-37(24-25-52(2)3)32-63-40-12-7-6-8-13-40/h6-23,30-31,37,50-51H,5,24-29,32H2,1-4H3,(H,57,58)/t37-/m1/s1
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n/an/a 4.10n/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))		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 |r|
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))		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 |r|
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
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 |r|
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))		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 |r|
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
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/a 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))		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 |r|
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))		BDBM50388983
PNG
(CHEMBL2063883)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C57H71ClN10O7S2/c1-62(2)27-23-46(41-76-50-11-5-4-6-12-50)60-53-22-21-51(38-54(53)68(72)73)77(74,75)61-45-17-19-47(20-18-45)65-33-35-66(36-34-65)48-10-7-9-43(37-48)55-52(42-13-15-44(58)16-14-42)39-67(28-24-49(70)40-69)56(55)57(71)59-25-8-26-64-31-29-63(3)30-32-64/h4-7,9-22,37-39,46,49,60-61,69-70H,8,23-36,40-41H2,1-3H3,(H,59,71)/t46-,49+/m1/s1
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n/an/a 6.20n/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))		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 |r|
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))		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 |r|
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
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50388994
PNG
(CHEMBL2063897)
Show SMILES CCc1c(c(c(C(O)=O)n1C)-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 |r|
Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-43-45(33-14-16-35(49)17-15-33)46(47(48(57)58)53(43)4)34-10-9-11-39(30-34)55-28-26-54(27-29-55)38-20-18-36(19-21-38)51-64(61,62)41-22-23-42(44(31-41)56(59)60)50-37(24-25-52(2)3)32-63-40-12-7-6-8-13-40/h6-23,30-31,37,50-51H,5,24-29,32H2,1-4H3,(H,57,58)/t37-/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 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 |r|
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 |r|
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
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 |r|
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))		BDBM50388992
PNG
(CHEMBL2063895)
Show SMILES CCOC(=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 |r|
Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-62-48(57)47-46(43(32-53(47)4)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)55-28-26-54(27-29-55)39-20-18-37(19-21-39)51-64(60,61)42-22-23-44(45(31-42)56(58)59)50-38(24-25-52(2)3)33-63-41-12-7-6-8-13-41/h6-23,30-32,38,50-51H,5,24-29,33H2,1-4H3/t38-/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
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 |r|
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))		BDBM50388991
PNG
(CHEMBL2063894)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)cc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C45H48ClN7O4S2/c1-49(2)23-22-37(32-58-40-10-5-4-6-11-40)47-44-21-20-41(29-45(44)53(54)55)59(56,57)48-36-16-18-38(19-17-36)51-24-26-52(27-25-51)39-9-7-8-34(28-39)43-31-50(3)30-42(43)33-12-14-35(46)15-13-33/h4-21,28-31,37,47-48H,22-27,32H2,1-3H3/t37-/m1/s1
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n/an/a 34.4n/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 |r|
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50388992
PNG
(CHEMBL2063895)
Show SMILES CCOC(=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 |r|
Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-62-48(57)47-46(43(32-53(47)4)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)55-28-26-54(27-29-55)39-20-18-37(19-21-39)51-64(60,61)42-22-23-44(45(31-42)56(58)59)50-38(24-25-52(2)3)33-63-41-12-7-6-8-13-41/h6-23,30-32,38,50-51H,5,24-29,33H2,1-4H3/t38-/m1/s1
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n/an/a 45.8n/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 |r|
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))		BDBM50388991
PNG
(CHEMBL2063894)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)cc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C45H48ClN7O4S2/c1-49(2)23-22-37(32-58-40-10-5-4-6-11-40)47-44-21-20-41(29-45(44)53(54)55)59(56,57)48-36-16-18-38(19-17-36)51-24-26-52(27-25-51)39-9-7-8-34(28-39)43-31-50(3)30-42(43)33-12-14-35(46)15-13-33/h4-21,28-31,37,47-48H,22-27,32H2,1-3H3/t37-/m1/s1
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n/an/a 82.6n/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))		BDBM50388988
PNG
(CHEMBL2063889)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C41H45ClN6O4S2/c1-45(2)23-22-35(30-53-37-9-4-3-5-10-37)43-40-21-20-38(28-41(40)48(49)50)54(51,52)44-34-16-18-36(19-17-34)47-26-24-46(25-27-47)29-32-8-6-7-11-39(32)31-12-14-33(42)15-13-31/h3-21,28,35,43-44H,22-27,29-30H2,1-2H3/t35-/m1/s1
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n/an/a 85.3n/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))		BDBM50388988
PNG
(CHEMBL2063889)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C41H45ClN6O4S2/c1-45(2)23-22-35(30-53-37-9-4-3-5-10-37)43-40-21-20-38(28-41(40)48(49)50)54(51,52)44-34-16-18-36(19-17-34)47-26-24-46(25-27-47)29-32-8-6-7-11-39(32)31-12-14-33(42)15-13-31/h3-21,28,35,43-44H,22-27,29-30H2,1-2H3/t35-/m1/s1
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n/an/a 88.3n/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
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