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23 molecules are shown

Compile data set for download or QSAR
Wt: 702.8
BDBM21406
Wt: 716.8
BDBM21407
Wt: 766.9
BDBM21408
Wt: 731.8
BDBM21409
Wt: 716.9
BDBM21433
Wt: 770.8
BDBM21434
Wt: 732.9
BDBM21435
Wt: 748.9
BDBM21436
Wt: 780.9
BDBM21437
Wt: 800.0
BDBM21438
Wt: 787.9
BDBM21439
Wt: 785.0
BDBM21440
Wt: 778.9
BDBM21441
Wt: 779.9
BDBM21442
Wt: 809.0
BDBM21443
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 21406,21407,21408,21409,21433,21434,21435,21436,21437,21438,21439,21440,21441,21442,21443   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-2-like protein 1


(Homo sapiens)
BDBM21440
PNG
(4-{4-[(2-cyclohexylphenyl)methyl]piperazin-1-yl}-N...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C2CCCCC2)CC1
Show InChI InChI=1S/C42H52N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h4,7-10,13-22,29,32,35,43H,3,5-6,11-12,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
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<0.5n/a 61n/a 340n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21439
PNG
(N-Benylpiperazine derivative, 23g | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2N2CCOCC2)CC1
Show InChI InChI=1S/C40H49N7O6S2/c1-43(2)19-18-33(30-54-35-9-4-3-5-10-35)41-37-17-16-36(28-39(37)47(49)50)55(51,52)42-40(48)31-12-14-34(15-13-31)45-22-20-44(21-23-45)29-32-8-6-7-11-38(32)46-24-26-53-27-25-46/h3-17,28,33,41H,18-27,29-30H2,1-2H3,(H,42,48)/t33-/m1/s1
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<0.5n/a<60n/a 430n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21443
PNG
(N-Benylpiperazine derivative, 23l | N-[(4-{[(2R)-4...)
Show SMILES COc1cccc(c1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C43H48N6O6S2/c1-46(2)23-22-35(31-56-38-13-5-4-6-14-38)44-41-21-20-39(29-42(41)49(51)52)57(53,54)45-43(50)32-16-18-36(19-17-32)48-26-24-47(25-27-48)30-34-10-7-8-15-40(34)33-11-9-12-37(28-33)55-3/h4-21,28-29,35,44H,22-27,30-31H2,1-3H3,(H,45,50)/t35-/m1/s1
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<0.5n/a 178n/a 380n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21442
PNG
(N-Benylpiperazine derivative, 23k | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
Show InChI InChI=1S/C41H45N7O5S2/c1-45(2)22-20-34(30-54-36-11-4-3-5-12-36)43-39-19-18-37(27-40(39)48(50)51)55(52,53)44-41(49)31-14-16-35(17-15-31)47-25-23-46(24-26-47)29-33-9-6-7-13-38(33)32-10-8-21-42-28-32/h3-19,21,27-28,34,43H,20,22-26,29-30H2,1-2H3,(H,44,49)/t34-/m1/s1
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<0.5n/a 81n/a 800n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21441
PNG
(N-Benylpiperazine derivative, 23i | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C42H46N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h3-22,29,35,43H,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
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<0.5n/a<60n/a 18n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21436
PNG
(N-Benylpiperazine derivative, 23d | N-[(4-{[(2R)-4...)
Show SMILES CSc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C37H44N6O5S3/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
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<0.5n/a<60n/a 95n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21434
PNG
(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
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<0.5n/a 85n/a 390n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21435
PNG
(N-Benylpiperazine derivative, 23c | N-[(4-{[(2R)-4...)
Show SMILES COc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C37H44N6O6S2/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
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<0.5n/a 80n/a 390n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21438
PNG
(4-(4-{[2-(cyclohexylamino)phenyl]methyl}piperazin-...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2NC2CCCCC2)CC1
Show InChI InChI=1S/C42H53N7O5S2/c1-46(2)24-23-35(31-55-37-14-7-4-8-15-37)44-40-22-21-38(29-41(40)49(51)52)56(53,54)45-42(50)32-17-19-36(20-18-32)48-27-25-47(26-28-48)30-33-11-9-10-16-39(33)43-34-12-5-3-6-13-34/h4,7-11,14-22,29,34-35,43-44H,3,5-6,12-13,23-28,30-31H2,1-2H3,(H,45,50)/t35-/m1/s1
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0.600n/a 370n/a 660n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21437
PNG
(N-Benylpiperazine derivative, 23e | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2S(C)(=O)=O)CC1
Show InChI InChI=1S/C37H44N6O7S3/c1-40(2)20-19-30(27-51-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)53(49,50)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)52(3,47)48/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
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0.900n/a 170n/a 5.50E+3n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21443
PNG
(N-Benylpiperazine derivative, 23l | N-[(4-{[(2R)-4...)
Show SMILES COc1cccc(c1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C43H48N6O6S2/c1-46(2)23-22-35(31-56-38-13-5-4-6-14-38)44-41-21-20-39(29-42(41)49(51)52)57(53,54)45-43(50)32-16-18-36(19-17-32)48-26-24-47(25-27-48)30-34-10-7-8-15-40(34)33-11-9-12-37(28-33)55-3/h4-21,28-29,35,44H,22-27,30-31H2,1-3H3,(H,45,50)/t35-/m1/s1
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<1n/an/an/a 460n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21434
PNG
(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
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<1n/an/an/a 130n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21407
PNG
(4-(4-benzoylpiperazin-1-yl)-N-[(4-{[(2R)-4-(dimeth...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C36H40N6O6S2/c1-39(2)20-19-29(26-49-31-11-7-4-8-12-31)37-33-18-17-32(25-34(33)42(45)46)50(47,48)38-35(43)27-13-15-30(16-14-27)40-21-23-41(24-22-40)36(44)28-9-5-3-6-10-28/h3-18,25,29,37H,19-24,26H2,1-2H3,(H,38,43)/t29-/m1/s1
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<1<-12.3n/an/a 1.46E+4n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21436
PNG
(N-Benylpiperazine derivative, 23d | N-[(4-{[(2R)-4...)
Show SMILES CSc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C37H44N6O5S3/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
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<1n/an/an/a 130n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21439
PNG
(N-Benylpiperazine derivative, 23g | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2N2CCOCC2)CC1
Show InChI InChI=1S/C40H49N7O6S2/c1-43(2)19-18-33(30-54-35-9-4-3-5-10-35)41-37-17-16-36(28-39(37)47(49)50)55(51,52)42-40(48)31-12-14-34(15-13-31)45-22-20-44(21-23-45)29-32-8-6-7-11-38(32)46-24-26-53-27-25-46/h3-17,28,33,41H,18-27,29-30H2,1-2H3,(H,42,48)/t33-/m1/s1
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<1n/an/an/a 460n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21442
PNG
(N-Benylpiperazine derivative, 23k | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
Show InChI InChI=1S/C41H45N7O5S2/c1-45(2)22-20-34(30-54-36-11-4-3-5-12-36)43-39-19-18-37(27-40(39)48(50)51)55(52,53)44-41(49)31-14-16-35(17-15-31)47-25-23-46(24-26-47)29-33-9-6-7-13-38(33)32-10-8-21-42-28-32/h3-19,21,27-28,34,43H,20,22-26,29-30H2,1-2H3,(H,44,49)/t34-/m1/s1
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1n/an/an/a 820n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21441
PNG
(N-Benylpiperazine derivative, 23i | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C42H46N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h3-22,29,35,43H,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
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<1n/an/an/a 16n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21440
PNG
(4-{4-[(2-cyclohexylphenyl)methyl]piperazin-1-yl}-N...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C2CCCCC2)CC1
Show InChI InChI=1S/C42H52N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h4,7-10,13-22,29,32,35,43H,3,5-6,11-12,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
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<1n/an/an/a 120n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21409
PNG
(4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfan...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C36H41N7O6S2/c1-40(2)20-19-29(26-50-31-11-7-4-8-12-31)37-33-18-17-32(25-34(33)43(46)47)51(48,49)39-35(44)27-13-15-30(16-14-27)41-21-23-42(24-22-41)36(45)38-28-9-5-3-6-10-28/h3-18,25,29,37H,19-24,26H2,1-2H3,(H,38,45)(H,39,44)/t29-/m1/s1
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2.5 -11.7n/an/a>5.00E+4n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21406
PNG
(4-(4-benzylpiperazin-1-yl)-N-[(4-{[(2R)-4-(dimethy...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C36H42N6O5S2/c1-39(2)20-19-30(27-48-32-11-7-4-8-12-32)37-34-18-17-33(25-35(34)42(44)45)49(46,47)38-36(43)29-13-15-31(16-14-29)41-23-21-40(22-24-41)26-28-9-5-3-6-10-28/h3-18,25,30,37H,19-24,26-27H2,1-2H3,(H,38,43)/t30-/m1/s1
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2.60 -11.7n/an/a 1.10E+3n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21433
PNG
(N-Benylpiperazine derivative, 23b | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C)CC1
Show InChI InChI=1S/C37H44N6O5S2/c1-28-9-7-8-10-30(28)26-41-21-23-42(24-22-41)32-15-13-29(14-16-32)37(44)39-50(47,48)34-17-18-35(36(25-34)43(45)46)38-31(19-20-40(2)3)27-49-33-11-5-4-6-12-33/h4-18,25,31,38H,19-24,26-27H2,1-3H3,(H,39,44)/t31-/m1/s1
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3n/a 140n/a 410n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21435
PNG
(N-Benylpiperazine derivative, 23c | N-[(4-{[(2R)-4...)
Show SMILES COc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C37H44N6O6S2/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
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3.20n/an/an/a 950n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21438
PNG
(4-(4-{[2-(cyclohexylamino)phenyl]methyl}piperazin-...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2NC2CCCCC2)CC1
Show InChI InChI=1S/C42H53N7O5S2/c1-46(2)24-23-35(31-55-37-14-7-4-8-15-37)44-40-22-21-38(29-41(40)49(51)52)56(53,54)45-42(50)32-17-19-36(20-18-32)48-27-25-47(26-28-48)30-33-11-9-10-16-39(33)43-34-12-5-3-6-13-34/h4,7-11,14-22,29,34-35,43-44H,3,5-6,12-13,23-28,30-31H2,1-2H3,(H,45,50)/t35-/m1/s1
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3.5n/an/an/a 340n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21434
PNG
(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 10 uM ...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21408
PNG
(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H42N6O7S3/c1-27-9-15-32(16-10-27)52(48,49)41-23-21-40(22-24-41)30-13-11-28(12-14-30)36(43)38-51(46,47)33-17-18-34(35(25-33)42(44)45)37-29(19-20-39(2)3)26-50-31-7-5-4-6-8-31/h4-18,25,29,37H,19-24,26H2,1-3H3,(H,38,43)/t29-/m1/s1
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4 -11.4n/an/a>2.00E+4n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21433
PNG
(N-Benylpiperazine derivative, 23b | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C)CC1
Show InChI InChI=1S/C37H44N6O5S2/c1-28-9-7-8-10-30(28)26-41-21-23-42(24-22-41)32-15-13-29(14-16-32)37(44)39-50(47,48)34-17-18-35(36(25-34)43(45)46)38-31(19-20-40(2)3)27-49-33-11-5-4-6-12-33/h4-18,25,31,38H,19-24,26-27H2,1-3H3,(H,39,44)/t31-/m1/s1
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4.5n/an/an/a 940n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21437
PNG
(N-Benylpiperazine derivative, 23e | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2S(C)(=O)=O)CC1
Show InChI InChI=1S/C37H44N6O7S3/c1-40(2)20-19-30(27-51-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)53(49,50)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)52(3,47)48/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
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4.60n/an/an/a 6.80E+3n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21408
PNG
(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H42N6O7S3/c1-27-9-15-32(16-10-27)52(48,49)41-23-21-40(22-24-41)30-13-11-28(12-14-30)36(43)38-51(46,47)33-17-18-34(35(25-33)42(44)45)37-29(19-20-39(2)3)26-50-31-7-5-4-6-8-31/h4-18,25,29,37H,19-24,26H2,1-3H3,(H,38,43)/t29-/m1/s1
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6.10n/an/an/a>2.00E+4n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21406
PNG
(4-(4-benzylpiperazin-1-yl)-N-[(4-{[(2R)-4-(dimethy...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C36H42N6O5S2/c1-39(2)20-19-30(27-48-32-11-7-4-8-12-32)37-34-18-17-33(25-35(34)42(44)45)49(46,47)38-36(43)29-13-15-31(16-14-29)41-23-21-40(22-24-41)26-28-9-5-3-6-10-28/h3-18,25,30,37H,19-24,26-27H2,1-2H3,(H,38,43)/t30-/m1/s1
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39.8n/an/an/a 1.70E+3n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM21434
PNG
(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
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49n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged human wild type Bcl-W expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by ...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21407
PNG
(4-(4-benzoylpiperazin-1-yl)-N-[(4-{[(2R)-4-(dimeth...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C36H40N6O6S2/c1-39(2)20-19-29(26-49-31-11-7-4-8-12-31)37-33-18-17-32(25-34(33)42(45)46)50(47,48)38-35(43)27-13-15-30(16-14-27)40-21-23-41(24-22-40)36(44)28-9-5-3-6-10-28/h3-18,25,29,37H,19-24,26H2,1-2H3,(H,38,43)/t29-/m1/s1
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61.9n/an/an/a>5.00E+4n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21409
PNG
(4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfan...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C36H41N7O6S2/c1-40(2)20-19-29(26-50-31-11-7-4-8-12-31)37-33-18-17-32(25-34(33)43(46)47)51(48,49)39-35(44)27-13-15-30(16-14-27)41-21-23-42(24-22-41)36(45)38-28-9-5-3-6-10-28/h3-18,25,29,37H,19-24,26H2,1-2H3,(H,38,45)(H,39,44)/t29-/m1/s1
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300n/an/an/a>5.00E+4n/an/an/an/a



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM21434
PNG
(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by f...


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21406
PNG
(4-(4-benzylpiperazin-1-yl)-N-[(4-{[(2R)-4-(dimethy...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C36H42N6O5S2/c1-39(2)20-19-30(27-48-32-11-7-4-8-12-32)37-34-18-17-33(25-35(34)42(44)45)49(46,47)38-36(43)29-13-15-31(16-14-29)41-23-21-40(22-24-41)26-28-9-5-3-6-10-28/h3-18,25,30,37H,19-24,26-27H2,1-2H3,(H,38,43)/t30-/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21443
PNG
(N-Benylpiperazine derivative, 23l | N-[(4-{[(2R)-4...)
Show SMILES COc1cccc(c1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C43H48N6O6S2/c1-46(2)23-22-35(31-56-38-13-5-4-6-14-38)44-41-21-20-39(29-42(41)49(51)52)57(53,54)45-43(50)32-16-18-36(19-17-32)48-26-24-47(25-27-48)30-34-10-7-8-15-40(34)33-11-9-12-37(28-33)55-3/h4-21,28-29,35,44H,22-27,30-31H2,1-3H3,(H,45,50)/t35-/m1/s1
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n/an/an/an/a 380n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21442
PNG
(N-Benylpiperazine derivative, 23k | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
Show InChI InChI=1S/C41H45N7O5S2/c1-45(2)22-20-34(30-54-36-11-4-3-5-12-36)43-39-19-18-37(27-40(39)48(50)51)55(52,53)44-41(49)31-14-16-35(17-15-31)47-25-23-46(24-26-47)29-33-9-6-7-13-38(33)32-10-8-21-42-28-32/h3-19,21,27-28,34,43H,20,22-26,29-30H2,1-2H3,(H,44,49)/t34-/m1/s1
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n/an/an/an/a 800n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21441
PNG
(N-Benylpiperazine derivative, 23i | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C42H46N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h3-22,29,35,43H,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
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n/an/an/an/a 18.0n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21440
PNG
(4-{4-[(2-cyclohexylphenyl)methyl]piperazin-1-yl}-N...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C2CCCCC2)CC1
Show InChI InChI=1S/C42H52N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h4,7-10,13-22,29,32,35,43H,3,5-6,11-12,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
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n/an/an/an/a 340n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21434
PNG
(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
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n/an/an/an/a 390n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21437
PNG
(N-Benylpiperazine derivative, 23e | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2S(C)(=O)=O)CC1
Show InChI InChI=1S/C37H44N6O7S3/c1-40(2)20-19-30(27-51-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)53(49,50)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)52(3,47)48/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21436
PNG
(N-Benylpiperazine derivative, 23d | N-[(4-{[(2R)-4...)
Show SMILES CSc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C37H44N6O5S3/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
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n/an/an/an/a 95.1n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21435
PNG
(N-Benylpiperazine derivative, 23c | N-[(4-{[(2R)-4...)
Show SMILES COc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C37H44N6O6S2/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
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n/an/an/an/a 390n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21433
PNG
(N-Benylpiperazine derivative, 23b | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C)CC1
Show InChI InChI=1S/C37H44N6O5S2/c1-28-9-7-8-10-30(28)26-41-21-23-42(24-22-41)32-15-13-29(14-16-32)37(44)39-50(47,48)34-17-18-35(36(25-34)43(45)46)38-31(19-20-40(2)3)27-49-33-11-5-4-6-12-33/h4-18,25,31,38H,19-24,26-27H2,1-3H3,(H,39,44)/t31-/m1/s1
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n/an/an/an/a 410n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM21438
PNG
(4-(4-{[2-(cyclohexylamino)phenyl]methyl}piperazin-...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2NC2CCCCC2)CC1
Show InChI InChI=1S/C42H53N7O5S2/c1-46(2)24-23-35(31-55-37-14-7-4-8-15-37)44-40-22-21-38(29-41(40)49(51)52)56(53,54)45-42(50)32-17-19-36(20-18-32)48-27-25-47(26-28-48)30-33-11-9-10-16-39(33)43-34-12-5-3-6-13-34/h4,7-11,14-22,29,34-35,43-44H,3,5-6,12-13,23-28,30-31H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/an/an/a 661n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair