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PubMed code 23030453

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))
BDBM50397455
PNG
(CHEMBL2170838)
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](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C53H58ClF3N6O7S3/c1-35(2)63-36(3)49(52(65)66)50(51(63)37-12-14-39(54)15-13-37)38-8-7-9-43(32-38)62-30-28-61(29-31-62)42-18-16-40(17-19-42)59-73(69,70)46-20-21-47(48(33-46)72(67,68)53(55,56)57)58-41(34-71-45-10-5-4-6-11-45)22-25-60-26-23-44(64)24-27-60/h4-21,32-33,35,41,44,58-59,64H,22-31,34H2,1-3H3,(H,65,66)/t41-/m1/s1
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PubMed
0.800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397456
PNG
(CHEMBL2170837)
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](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C52H56ClF3N6O7S3/c1-3-62-35(2)48(51(64)65)49(50(62)36-12-14-38(53)15-13-36)37-8-7-9-42(32-37)61-30-28-60(29-31-61)41-18-16-39(17-19-41)58-72(68,69)45-20-21-46(47(33-45)71(66,67)52(54,55)56)57-40(34-70-44-10-5-4-6-11-44)22-25-59-26-23-43(63)24-27-59/h4-21,32-33,40,43,57-58,63H,3,22-31,34H2,1-2H3,(H,64,65)/t40-/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-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397459
PNG
(CHEMBL2170851)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CC(O)C3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C49H50ClF3N6O7S3/c1-32-45(48(61)62)46(47(56(32)2)33-11-13-35(50)14-12-33)34-7-6-8-39(27-34)59-25-23-58(24-26-59)38-17-15-36(16-18-38)55-69(65,66)42-19-20-43(44(28-42)68(63,64)49(51,52)53)54-37(21-22-57-29-40(60)30-57)31-67-41-9-4-3-5-10-41/h3-20,27-28,37,40,54-55,60H,21-26,29-31H2,1-2H3,(H,61,62)/t37-/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-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397462
PNG
(CHEMBL2170848)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C49H50ClF3N6O6S3/c1-33-45(48(60)61)46(47(56(33)2)34-12-14-36(50)15-13-34)35-8-6-9-40(30-35)59-28-26-58(27-29-59)39-18-16-37(17-19-39)55-68(64,65)42-20-21-43(44(31-42)67(62,63)49(51,52)53)54-38(22-25-57-23-7-24-57)32-66-41-10-4-3-5-11-41/h3-6,8-21,30-31,38,54-55H,7,22-29,32H2,1-2H3,(H,60,61)/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-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397461
PNG
(CHEMBL2170849)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C50H52ClF3N6O6S3/c1-34-46(49(61)62)47(48(57(34)2)35-13-15-37(51)16-14-35)36-9-8-10-41(31-36)60-29-27-59(28-30-60)40-19-17-38(18-20-40)56-69(65,66)43-21-22-44(45(32-43)68(63,64)50(52,53)54)55-39(23-26-58-24-6-7-25-58)33-67-42-11-4-3-5-12-42/h3-5,8-22,31-32,39,55-56H,6-7,23-30,33H2,1-2H3,(H,61,62)/t39-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397464
PNG
(CHEMBL2170846)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)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/C48H50ClF3N6O6S3/c1-32-44(47(59)60)45(46(56(32)4)33-13-15-35(49)16-14-33)34-9-8-10-39(29-34)58-27-25-57(26-28-58)38-19-17-36(18-20-38)54-67(63,64)41-21-22-42(43(30-41)66(61,62)48(50,51)52)53-37(23-24-55(2)3)31-65-40-11-6-5-7-12-40/h5-22,29-30,37,53-54H,23-28,31H2,1-4H3,(H,59,60)/t37-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397458
PNG
(CHEMBL2170835)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C51H54ClF3N6O7S3/c1-34-47(50(63)64)48(49(58(34)2)35-11-13-37(52)14-12-35)36-7-6-8-41(31-36)61-29-27-60(28-30-61)40-17-15-38(16-18-40)57-71(67,68)44-19-20-45(46(32-44)70(65,66)51(53,54)55)56-39(33-69-43-9-4-3-5-10-43)21-24-59-25-22-42(62)23-26-59/h3-20,31-32,39,42,56-57,62H,21-30,33H2,1-2H3,(H,63,64)/t39-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397460
PNG
(CHEMBL2170850)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCCCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C51H54ClF3N6O6S3/c1-35-47(50(62)63)48(49(58(35)2)36-14-16-38(52)17-15-36)37-10-9-11-42(32-37)61-30-28-60(29-31-61)41-20-18-39(19-21-41)57-70(66,67)44-22-23-45(46(33-44)69(64,65)51(53,54)55)56-40(24-27-59-25-7-4-8-26-59)34-68-43-12-5-3-6-13-43/h3,5-6,9-23,32-33,40,56-57H,4,7-8,24-31,34H2,1-2H3,(H,62,63)/t40-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397457
PNG
(CHEMBL2170836)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(C)(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C52H56ClF3N6O7S3/c1-35-47(50(63)64)48(49(59(35)3)36-12-14-38(53)15-13-36)37-8-7-9-42(32-37)62-30-28-61(29-31-62)41-18-16-39(17-19-41)58-72(68,69)44-20-21-45(46(33-44)71(66,67)52(54,55)56)57-40(34-70-43-10-5-4-6-11-43)22-25-60-26-23-51(2,65)24-27-60/h4-21,32-33,40,57-58,65H,22-31,34H2,1-3H3,(H,63,64)/t40-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397454
PNG
(CHEMBL2170839)
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](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C53H58ClF3N6O7S3/c1-3-25-63-36(2)49(52(65)66)50(51(63)37-12-14-39(54)15-13-37)38-8-7-9-43(33-38)62-31-29-61(30-32-62)42-18-16-40(17-19-42)59-73(69,70)46-20-21-47(48(34-46)72(67,68)53(55,56)57)58-41(35-71-45-10-5-4-6-11-45)22-26-60-27-23-44(64)24-28-60/h4-21,33-34,41,44,58-59,64H,3,22-32,35H2,1-2H3,(H,65,66)/t41-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397463
PNG
(CHEMBL2170847)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C50H52ClF3N6O7S3/c1-34-46(49(61)62)47(48(57(34)2)35-11-13-37(51)14-12-35)36-7-6-8-41(31-36)60-25-23-59(24-26-60)40-17-15-38(16-18-40)56-70(65,66)43-19-20-44(45(32-43)69(63,64)50(52,53)54)55-39(21-22-58-27-29-67-30-28-58)33-68-42-9-4-3-5-10-42/h3-20,31-32,39,55-56H,21-30,33H2,1-2H3,(H,61,62)/t39-/m1/s1
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14.1n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397453
PNG
(CHEMBL2170840)
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](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C54H60ClF3N6O7S3/c1-3-4-26-64-37(2)50(53(66)67)51(52(64)38-13-15-40(55)16-14-38)39-9-8-10-44(34-39)63-32-30-62(31-33-63)43-19-17-41(18-20-43)60-74(70,71)47-21-22-48(49(35-47)73(68,69)54(56,57)58)59-42(36-72-46-11-6-5-7-12-46)23-27-61-28-24-45(65)25-29-61/h5-22,34-35,42,45,59-60,65H,3-4,23-33,36H2,1-2H3,(H,66,67)/t42-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397481
PNG
(CHEMBL2170852)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49ClN8O5S/c1-31-40(43(53)45-19-6-20-49-23-21-47(2)22-24-49)41(42(48(31)3)32-11-13-34(44)14-12-32)33-7-4-8-37(29-33)51-27-25-50(26-28-51)36-17-15-35(16-18-36)46-58(56,57)39-10-5-9-38(30-39)52(54)55/h4-5,7-18,29-30,46H,6,19-28H2,1-3H3,(H,45,53)
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31.3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397468
PNG
(CHEMBL2170842)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)S(=O)(=O)C(F)(F)F)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H49ClF3N7O5S2/c1-31-40(43(56)49-19-6-20-53-23-21-51(2)22-24-53)41(42(52(31)3)32-11-13-34(45)14-12-32)33-7-4-8-37(29-33)55-27-25-54(26-28-55)36-17-15-35(16-18-36)50-62(59,60)39-10-5-9-38(30-39)61(57,58)44(46,47)48/h4-5,7-18,29-30,50H,6,19-28H2,1-3H3,(H,49,56)
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39.2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397477
PNG
(CHEMBL2171005)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49BrClN7O3S/c1-31-40(43(53)46-19-6-20-50-23-21-48(2)22-24-50)41(42(49(31)3)32-11-13-35(45)14-12-32)33-7-4-9-38(29-33)52-27-25-51(26-28-52)37-17-15-36(16-18-37)47-56(54,55)39-10-5-8-34(44)30-39/h4-5,7-18,29-30,47H,6,19-28H2,1-3H3,(H,46,53)
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65.8n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397476
PNG
(CHEMBL2171006)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H49ClF3N7O3S/c1-31-40(43(56)49-19-6-20-53-23-21-51(2)22-24-53)41(42(52(31)3)32-11-13-35(45)14-12-32)33-7-4-9-38(29-33)55-27-25-54(26-28-55)37-17-15-36(16-18-37)50-59(57,58)39-10-5-8-34(30-39)44(46,47)48/h4-5,7-18,29-30,50H,6,19-28H2,1-3H3,(H,49,56)
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151n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397474
PNG
(CHEMBL2171008)
Show SMILES CCc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H54ClN7O3S/c1-5-34-9-6-12-41(31-34)57(55,56)48-38-17-19-39(20-18-38)52-27-29-53(30-28-52)40-11-7-10-36(32-40)43-42(33(2)50(4)44(43)35-13-15-37(46)16-14-35)45(54)47-21-8-22-51-25-23-49(3)24-26-51/h6-7,9-20,31-32,48H,5,8,21-30H2,1-4H3,(H,47,54)
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160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397478
PNG
(CHEMBL2171004)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49Cl2N7O3S/c1-31-40(43(53)46-19-6-20-50-23-21-48(2)22-24-50)41(42(49(31)3)32-11-13-34(44)14-12-32)33-7-4-9-38(29-33)52-27-25-51(26-28-52)37-17-15-36(16-18-37)47-56(54,55)39-10-5-8-35(45)30-39/h4-5,7-18,29-30,47H,6,19-28H2,1-3H3,(H,46,53)
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171n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397475
PNG
(CHEMBL2171007)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H52ClN7O3S/c1-32-8-5-11-40(30-32)56(54,55)47-37-16-18-38(19-17-37)51-26-28-52(29-27-51)39-10-6-9-35(31-39)42-41(33(2)49(4)43(42)34-12-14-36(45)15-13-34)44(53)46-20-7-21-50-24-22-48(3)23-25-50/h5-6,8-19,30-31,47H,7,20-29H2,1-4H3,(H,46,53)
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178n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397472
PNG
(CHEMBL2171010)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H49ClF3N7O4S/c1-31-40(43(56)49-19-6-20-53-23-21-51(2)22-24-53)41(42(52(31)3)32-11-13-34(45)14-12-32)33-7-4-8-37(29-33)55-27-25-54(26-28-55)36-17-15-35(16-18-36)50-60(57,58)39-10-5-9-38(30-39)59-44(46,47)48/h4-5,7-18,29-30,50H,6,19-28H2,1-3H3,(H,49,56)
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197n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397471
PNG
(CHEMBL2169898)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C44H52ClN7O4S/c1-32-41(44(53)46-20-7-21-50-24-22-48(2)23-25-50)42(43(49(32)3)33-12-14-35(45)15-13-33)34-8-5-9-38(30-34)52-28-26-51(27-29-52)37-18-16-36(17-19-37)47-57(54,55)40-11-6-10-39(31-40)56-4/h5-6,8-19,30-31,47H,7,20-29H2,1-4H3,(H,46,53)
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207n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397466
PNG
(CHEMBL2170844)
Show SMILES CCS(=O)(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H54ClN7O5S2/c1-5-59(55,56)40-11-7-12-41(32-40)60(57,58)48-37-17-19-38(20-18-37)52-27-29-53(30-28-52)39-10-6-9-35(31-39)43-42(33(2)50(4)44(43)34-13-15-36(46)16-14-34)45(54)47-21-8-22-51-25-23-49(3)24-26-51/h6-7,9-20,31-32,48H,5,8,21-30H2,1-4H3,(H,47,54)
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214n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397465
PNG
(CHEMBL2170845)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)S(=O)(=O)C3CC3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H54ClN7O5S2/c1-33-43(46(55)48-21-6-22-52-25-23-50(2)24-26-52)44(45(51(33)3)34-11-13-36(47)14-12-34)35-7-4-8-39(31-35)54-29-27-53(28-30-54)38-17-15-37(16-18-38)49-61(58,59)42-10-5-9-41(32-42)60(56,57)40-19-20-40/h4-5,7-18,31-32,40,49H,6,19-30H2,1-3H3,(H,48,55)
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218n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397479
PNG
(CHEMBL2171003)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49ClFN7O3S/c1-31-40(43(53)46-19-6-20-50-23-21-48(2)22-24-50)41(42(49(31)3)32-11-13-34(44)14-12-32)33-7-4-9-38(29-33)52-27-25-51(26-28-52)37-17-15-36(16-18-37)47-56(54,55)39-10-5-8-35(45)30-39/h4-5,7-18,29-30,47H,6,19-28H2,1-3H3,(H,46,53)
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253n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397470
PNG
(CHEMBL2171011)
Show SMILES CCOc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H54ClN7O4S/c1-5-57-40-11-7-12-41(32-40)58(55,56)48-37-17-19-38(20-18-37)52-27-29-53(30-28-52)39-10-6-9-35(31-39)43-42(33(2)50(4)44(43)34-13-15-36(46)16-14-34)45(54)47-21-8-22-51-25-23-49(3)24-26-51/h6-7,9-20,31-32,48H,5,8,21-30H2,1-4H3,(H,47,54)
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420n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397473
PNG
(CHEMBL2171009)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)C(C)(C)C)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H58ClN7O3S/c1-34-43(46(56)49-22-9-23-53-26-24-51(5)25-27-53)44(45(52(34)6)35-14-16-38(48)17-15-35)36-10-7-12-41(32-36)55-30-28-54(29-31-55)40-20-18-39(19-21-40)50-59(57,58)42-13-8-11-37(33-42)47(2,3)4/h7-8,10-21,32-33,50H,9,22-31H2,1-6H3,(H,49,56)
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494n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397469
PNG
(CHEMBL2170841)
Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H56ClN7O4S/c1-33(2)58-41-11-7-12-42(32-41)59(56,57)49-38-17-19-39(20-18-38)53-27-29-54(30-28-53)40-10-6-9-36(31-40)44-43(34(3)51(5)45(44)35-13-15-37(47)16-14-35)46(55)48-21-8-22-52-25-23-50(4)24-26-52/h6-7,9-20,31-33,49H,8,21-30H2,1-5H3,(H,48,55)
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522n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397480
PNG
(CHEMBL2170853)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H50ClN7O3S/c1-32-40(43(52)45-21-8-22-49-25-23-47(2)24-26-49)41(42(48(32)3)33-13-15-35(44)16-14-33)34-9-7-10-38(31-34)51-29-27-50(28-30-51)37-19-17-36(18-20-37)46-55(53,54)39-11-5-4-6-12-39/h4-7,9-20,31,46H,8,21-30H2,1-3H3,(H,45,52)
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569n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397467
PNG
(CHEMBL2170843)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)S(C)(=O)=O)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H52ClN7O5S2/c1-32-41(44(53)46-20-7-21-50-24-22-48(2)23-25-50)42(43(49(32)3)33-12-14-35(45)15-13-33)34-8-5-9-38(30-34)52-28-26-51(27-29-52)37-18-16-36(17-19-37)47-59(56,57)40-11-6-10-39(31-40)58(4,54)55/h5-6,8-19,30-31,47H,7,20-29H2,1-4H3,(H,46,53)
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658n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397455
PNG
(CHEMBL2170838)
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](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C53H58ClF3N6O7S3/c1-35(2)63-36(3)49(52(65)66)50(51(63)37-12-14-39(54)15-13-37)38-8-7-9-43(32-38)62-30-28-61(29-31-62)42-18-16-40(17-19-42)59-73(69,70)46-20-21-47(48(33-46)72(67,68)53(55,56)57)58-41(34-71-45-10-5-4-6-11-45)22-25-60-26-23-44(64)24-27-60/h4-21,32-33,35,41,44,58-59,64H,22-31,34H2,1-3H3,(H,65,66)/t41-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397456
PNG
(CHEMBL2170837)
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](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C52H56ClF3N6O7S3/c1-3-62-35(2)48(51(64)65)49(50(62)36-12-14-38(53)15-13-36)37-8-7-9-42(32-37)61-30-28-60(29-31-61)41-18-16-39(17-19-41)58-72(68,69)45-20-21-46(47(33-45)71(66,67)52(54,55)56)57-40(34-70-44-10-5-4-6-11-44)22-25-59-26-23-43(63)24-27-59/h4-21,32-33,40,43,57-58,63H,3,22-31,34H2,1-2H3,(H,64,65)/t40-/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
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397462
PNG
(CHEMBL2170848)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C49H50ClF3N6O6S3/c1-33-45(48(60)61)46(47(56(33)2)34-12-14-36(50)15-13-34)35-8-6-9-40(30-35)59-28-26-58(27-29-59)39-18-16-37(17-19-39)55-68(64,65)42-20-21-43(44(31-42)67(62,63)49(51,52)53)54-38(22-25-57-23-7-24-57)32-66-41-10-4-3-5-11-41/h3-6,8-21,30-31,38,54-55H,7,22-29,32H2,1-2H3,(H,60,61)/t38-/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
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397459
PNG
(CHEMBL2170851)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CC(O)C3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C49H50ClF3N6O7S3/c1-32-45(48(61)62)46(47(56(32)2)33-11-13-35(50)14-12-33)34-7-6-8-39(27-34)59-25-23-58(24-26-59)38-17-15-36(16-18-38)55-69(65,66)42-19-20-43(44(28-42)68(63,64)49(51,52)53)54-37(21-22-57-29-40(60)30-57)31-67-41-9-4-3-5-10-41/h3-20,27-28,37,40,54-55,60H,21-26,29-31H2,1-2H3,(H,61,62)/t37-/m1/s1
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n/an/a 7.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397461
PNG
(CHEMBL2170849)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C50H52ClF3N6O6S3/c1-34-46(49(61)62)47(48(57(34)2)35-13-15-37(51)16-14-35)36-9-8-10-41(31-36)60-29-27-59(28-30-60)40-19-17-38(18-20-40)56-69(65,66)43-21-22-44(45(32-43)68(63,64)50(52,53)54)55-39(23-26-58-24-6-7-25-58)33-67-42-11-4-3-5-12-42/h3-5,8-22,31-32,39,55-56H,6-7,23-30,33H2,1-2H3,(H,61,62)/t39-/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
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397464
PNG
(CHEMBL2170846)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)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/C48H50ClF3N6O6S3/c1-32-44(47(59)60)45(46(56(32)4)33-13-15-35(49)16-14-33)34-9-8-10-39(29-34)58-27-25-57(26-28-58)38-19-17-36(18-20-38)54-67(63,64)41-21-22-42(43(30-41)66(61,62)48(50,51)52)53-37(23-24-55(2)3)31-65-40-11-6-5-7-12-40/h5-22,29-30,37,53-54H,23-28,31H2,1-4H3,(H,59,60)/t37-/m1/s1
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n/an/a 9.20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397458
PNG
(CHEMBL2170835)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C51H54ClF3N6O7S3/c1-34-47(50(63)64)48(49(58(34)2)35-11-13-37(52)14-12-35)36-7-6-8-41(31-36)61-29-27-60(28-30-61)40-17-15-38(16-18-40)57-71(67,68)44-19-20-45(46(32-44)70(65,66)51(53,54)55)56-39(33-69-43-9-4-3-5-10-43)21-24-59-25-22-42(62)23-26-59/h3-20,31-32,39,42,56-57,62H,21-30,33H2,1-2H3,(H,63,64)/t39-/m1/s1
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n/an/a 10.2n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397460
PNG
(CHEMBL2170850)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCCCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C51H54ClF3N6O6S3/c1-35-47(50(62)63)48(49(58(35)2)36-14-16-38(52)17-15-36)37-10-9-11-42(32-37)61-30-28-60(29-31-61)41-20-18-39(19-21-41)57-70(66,67)44-22-23-45(46(33-44)69(64,65)51(53,54)55)56-40(24-27-59-25-7-4-8-26-59)34-68-43-12-5-3-6-13-43/h3,5-6,9-23,32-33,40,56-57H,4,7-8,24-31,34H2,1-2H3,(H,62,63)/t40-/m1/s1
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n/an/a 15.6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397457
PNG
(CHEMBL2170836)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(C)(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C52H56ClF3N6O7S3/c1-35-47(50(63)64)48(49(59(35)3)36-12-14-38(53)15-13-36)37-8-7-9-42(32-37)62-30-28-61(29-31-62)41-18-16-39(17-19-41)58-72(68,69)44-20-21-45(46(33-44)71(66,67)52(54,55)56)57-40(34-70-43-10-5-4-6-11-43)22-25-60-26-23-51(2,65)24-27-60/h4-21,32-33,40,57-58,65H,22-31,34H2,1-3H3,(H,63,64)/t40-/m1/s1
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n/an/a 18.6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397454
PNG
(CHEMBL2170839)
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](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C53H58ClF3N6O7S3/c1-3-25-63-36(2)49(52(65)66)50(51(63)37-12-14-39(54)15-13-37)38-8-7-9-43(33-38)62-31-29-61(30-32-62)42-18-16-40(17-19-42)59-73(69,70)46-20-21-47(48(34-46)72(67,68)53(55,56)57)58-41(35-71-45-10-5-4-6-11-45)22-26-60-27-23-44(64)24-28-60/h4-21,33-34,41,44,58-59,64H,3,22-32,35H2,1-2H3,(H,65,66)/t41-/m1/s1
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n/an/a 30.1n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397463
PNG
(CHEMBL2170847)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C50H52ClF3N6O7S3/c1-34-46(49(61)62)47(48(57(34)2)35-11-13-37(51)14-12-35)36-7-6-8-41(31-36)60-25-23-59(24-26-60)40-17-15-38(16-18-40)56-70(65,66)43-19-20-44(45(32-43)69(63,64)50(52,53)54)55-39(21-22-58-27-29-67-30-28-58)33-68-42-9-4-3-5-10-42/h3-20,31-32,39,55-56H,21-30,33H2,1-2H3,(H,61,62)/t39-/m1/s1
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n/an/a 55.2n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397453
PNG
(CHEMBL2170840)
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](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C54H60ClF3N6O7S3/c1-3-4-26-64-37(2)50(53(66)67)51(52(64)38-13-15-40(55)16-14-38)39-9-8-10-44(34-39)63-32-30-62(31-33-63)43-19-17-41(18-20-43)60-74(70,71)47-21-22-48(49(35-47)73(68,69)54(56,57)58)59-42(36-72-46-11-6-5-7-12-46)23-27-61-28-24-45(65)25-29-61/h5-22,34-35,42,45,59-60,65H,3-4,23-33,36H2,1-2H3,(H,66,67)/t42-/m1/s1
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n/an/a 78.2n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397481
PNG
(CHEMBL2170852)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49ClN8O5S/c1-31-40(43(53)45-19-6-20-49-23-21-47(2)22-24-49)41(42(48(31)3)32-11-13-34(44)14-12-32)33-7-4-8-37(29-33)51-27-25-50(26-28-51)36-17-15-35(16-18-36)46-58(56,57)39-10-5-9-38(30-39)52(54)55/h4-5,7-18,29-30,46H,6,19-28H2,1-3H3,(H,45,53)
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n/an/a 117n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397468
PNG
(CHEMBL2170842)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)S(=O)(=O)C(F)(F)F)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H49ClF3N7O5S2/c1-31-40(43(56)49-19-6-20-53-23-21-51(2)22-24-53)41(42(52(31)3)32-11-13-34(45)14-12-32)33-7-4-8-37(29-33)55-27-25-54(26-28-55)36-17-15-35(16-18-36)50-62(59,60)39-10-5-9-38(30-39)61(57,58)44(46,47)48/h4-5,7-18,29-30,50H,6,19-28H2,1-3H3,(H,49,56)
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n/an/a 153n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397477
PNG
(CHEMBL2171005)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49BrClN7O3S/c1-31-40(43(53)46-19-6-20-50-23-21-48(2)22-24-50)41(42(49(31)3)32-11-13-35(45)14-12-32)33-7-4-9-38(29-33)52-27-25-51(26-28-52)37-17-15-36(16-18-37)47-56(54,55)39-10-5-8-34(44)30-39/h4-5,7-18,29-30,47H,6,19-28H2,1-3H3,(H,46,53)
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n/an/a 255n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397476
PNG
(CHEMBL2171006)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H49ClF3N7O3S/c1-31-40(43(56)49-19-6-20-53-23-21-51(2)22-24-53)41(42(52(31)3)32-11-13-35(45)14-12-32)33-7-4-9-38(29-33)55-27-25-54(26-28-55)37-17-15-36(16-18-37)50-59(57,58)39-10-5-8-34(30-39)44(46,47)48/h4-5,7-18,29-30,50H,6,19-28H2,1-3H3,(H,49,56)
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n/an/a 582n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397474
PNG
(CHEMBL2171008)
Show SMILES CCc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H54ClN7O3S/c1-5-34-9-6-12-41(31-34)57(55,56)48-38-17-19-39(20-18-38)52-27-29-53(30-28-52)40-11-7-10-36(32-40)43-42(33(2)50(4)44(43)35-13-15-37(46)16-14-35)45(54)47-21-8-22-51-25-23-49(3)24-26-51/h6-7,9-20,31-32,48H,5,8,21-30H2,1-4H3,(H,47,54)
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n/an/a 621n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397478
PNG
(CHEMBL2171004)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49Cl2N7O3S/c1-31-40(43(53)46-19-6-20-50-23-21-48(2)22-24-50)41(42(49(31)3)32-11-13-34(44)14-12-32)33-7-4-9-38(29-33)52-27-25-51(26-28-52)37-17-15-36(16-18-37)47-56(54,55)39-10-5-8-35(45)30-39/h4-5,7-18,29-30,47H,6,19-28H2,1-3H3,(H,46,53)
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n/an/a 660n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397475
PNG
(CHEMBL2171007)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H52ClN7O3S/c1-32-8-5-11-40(30-32)56(54,55)47-37-16-18-38(19-17-37)51-26-28-52(29-27-51)39-10-6-9-35(31-39)42-41(33(2)49(4)43(42)34-12-14-36(45)15-13-34)44(53)46-20-7-21-50-24-22-48(3)23-25-50/h5-6,8-19,30-31,47H,7,20-29H2,1-4H3,(H,46,53)
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n/an/a 689n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397472
PNG
(CHEMBL2171010)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H49ClF3N7O4S/c1-31-40(43(56)49-19-6-20-53-23-21-51(2)22-24-53)41(42(52(31)3)32-11-13-34(45)14-12-32)33-7-4-8-37(29-33)55-27-25-54(26-28-55)36-17-15-35(16-18-36)50-60(57,58)39-10-5-9-38(30-39)59-44(46,47)48/h4-5,7-18,29-30,50H,6,19-28H2,1-3H3,(H,49,56)
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n/an/a 763n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397471
PNG
(CHEMBL2169898)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C44H52ClN7O4S/c1-32-41(44(53)46-20-7-21-50-24-22-48(2)23-25-50)42(43(49(32)3)33-12-14-35(45)15-13-33)34-8-5-9-38(30-34)52-28-26-51(27-29-52)37-18-16-36(17-19-37)47-57(54,55)40-11-6-10-39(31-40)56-4/h5-6,8-19,30-31,47H,7,20-29H2,1-4H3,(H,46,53)
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n/an/a 802n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397466
PNG
(CHEMBL2170844)
Show SMILES CCS(=O)(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H54ClN7O5S2/c1-5-59(55,56)40-11-7-12-41(32-40)60(57,58)48-37-17-19-38(20-18-37)52-27-29-53(30-28-52)39-10-6-9-35(31-39)43-42(33(2)50(4)44(43)34-13-15-36(46)16-14-34)45(54)47-21-8-22-51-25-23-49(3)24-26-51/h6-7,9-20,31-32,48H,5,8,21-30H2,1-4H3,(H,47,54)
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n/an/a 828n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397465
PNG
(CHEMBL2170845)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)S(=O)(=O)C3CC3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H54ClN7O5S2/c1-33-43(46(55)48-21-6-22-52-25-23-50(2)24-26-52)44(45(51(33)3)34-11-13-36(47)14-12-34)35-7-4-8-39(31-35)54-29-27-53(28-30-54)38-17-15-37(16-18-38)49-61(58,59)42-10-5-9-41(32-42)60(56,57)40-19-20-40/h4-5,7-18,31-32,40,49H,6,19-30H2,1-3H3,(H,48,55)
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n/an/a 844n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397479
PNG
(CHEMBL2171003)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H49ClFN7O3S/c1-31-40(43(53)46-19-6-20-50-23-21-48(2)22-24-50)41(42(49(31)3)32-11-13-34(44)14-12-32)33-7-4-9-38(29-33)52-27-25-51(26-28-52)37-17-15-36(16-18-37)47-56(54,55)39-10-5-8-35(45)30-39/h4-5,7-18,29-30,47H,6,19-28H2,1-3H3,(H,46,53)
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n/an/a 977n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397470
PNG
(CHEMBL2171011)
Show SMILES CCOc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H54ClN7O4S/c1-5-57-40-11-7-12-41(32-40)58(55,56)48-37-17-19-38(20-18-37)52-27-29-53(30-28-52)39-10-6-9-35(31-39)43-42(33(2)50(4)44(43)34-13-15-36(46)16-14-34)45(54)47-21-8-22-51-25-23-49(3)24-26-51/h6-7,9-20,31-32,48H,5,8,21-30H2,1-4H3,(H,47,54)
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n/an/a 1.62E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397473
PNG
(CHEMBL2171009)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)C(C)(C)C)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H58ClN7O3S/c1-34-43(46(56)49-22-9-23-53-26-24-51(5)25-27-53)44(45(52(34)6)35-14-16-38(48)17-15-35)36-10-7-12-41(32-36)55-30-28-54(29-31-55)40-20-18-39(19-21-40)50-59(57,58)42-13-8-11-37(33-42)47(2,3)4/h7-8,10-21,32-33,50H,9,22-31H2,1-6H3,(H,49,56)
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n/an/a 1.91E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397469
PNG
(CHEMBL2170841)
Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H56ClN7O4S/c1-33(2)58-41-11-7-12-42(32-41)59(56,57)49-38-17-19-39(20-18-38)53-27-29-54(30-28-53)40-10-6-9-36(31-40)44-43(34(3)51(5)45(44)35-13-15-37(47)16-14-35)46(55)48-21-8-22-52-25-23-50(4)24-26-52/h6-7,9-20,31-33,49H,8,21-30H2,1-5H3,(H,48,55)
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n/an/a 2.02E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397480
PNG
(CHEMBL2170853)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H50ClN7O3S/c1-32-40(43(52)45-21-8-22-49-25-23-47(2)24-26-49)41(42(48(32)3)33-13-15-35(44)16-14-33)34-9-7-10-38(31-34)51-29-27-50(28-30-51)37-19-17-36(18-20-37)46-55(53,54)39-11-5-4-6-12-39/h4-7,9-20,31,46H,8,21-30H2,1-3H3,(H,45,52)
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50397467
PNG
(CHEMBL2170843)
Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)S(C)(=O)=O)cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H52ClN7O5S2/c1-32-41(44(53)46-20-7-21-50-24-22-48(2)23-25-50)42(43(49(32)3)33-12-14-35(45)15-13-33)34-8-5-9-38(30-34)52-28-26-51(27-29-52)37-18-16-36(17-19-37)47-59(56,57)40-11-6-10-39(31-40)58(4,54)55/h5-6,8-19,30-31,47H,7,20-29H2,1-4H3,(H,46,53)
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PubMed
n/an/a 2.54E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%