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Compile Data Set for Download or QSAR

Found 52 hits of Enz. Inhib. data with enzyme = 'Bcl-2-like protein 1' and Substrate = 'Fluorescein-labeled BAD peptide'   
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)
BDBM21450
PNG
(N-Benylpiperazine derivative, 23r | 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-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C43H45F3N6O5S2/c1-49(2)23-22-35(30-58-37-9-4-3-5-10-37)47-40-21-20-38(28-41(40)52(54)55)59(56,57)48-42(53)32-14-18-36(19-15-32)51-26-24-50(25-27-51)29-33-8-6-7-11-39(33)31-12-16-34(17-13-31)43(44,45)46/h3-21,28,35,47H,22-27,29-30H2,1-2H3,(H,48,53)/t35-/m1/s1
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<0.5n/a<60n/a 40n/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)
BDBM21420
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8l | 4-{4-...)
Show SMILES COC1(Cc2ccccc2Br)CCN(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/C38H44BrN5O6S2/c1-42(2)22-19-30(27-51-32-10-5-4-6-11-32)40-35-18-17-33(25-36(35)44(46)47)52(48,49)41-37(45)28-13-15-31(16-14-28)43-23-20-38(50-3,21-24-43)26-29-9-7-8-12-34(29)39/h4-18,25,30,40H,19-24,26-27H2,1-3H3,(H,41,45)/t30-/m1/s1
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<0.5<-12.7<60n/a 100n/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)
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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<0.5n/a<60n/a 30n/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)
BDBM21449
PNG
(N-Benylpiperazine derivative, 23q | 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-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C42H45FN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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<0.5n/a<60n/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)
BDBM21421
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8m | N-[(4...)
Show SMILES COC1(Cc2ccccc2-c2ccccc2)CCN(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/C44H49N5O6S2/c1-47(2)27-24-36(32-56-38-15-8-5-9-16-38)45-41-23-22-39(30-42(41)49(51)52)57(53,54)46-43(50)34-18-20-37(21-19-34)48-28-25-44(55-3,26-29-48)31-35-14-10-11-17-40(35)33-12-6-4-7-13-33/h4-23,30,36,45H,24-29,31-32H2,1-3H3,(H,46,50)/t36-/m1/s1
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<0.5<-12.7<60n/a 35n/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)
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)
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)
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)
BDBM21444
PNG
(N-Benylpiperazine derivative, 23m | N-[(4-{[(2R)-4...)
Show SMILES COc1ccc(cc1)-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)24-23-35(31-56-38-10-5-4-6-11-38)44-41-22-21-39(29-42(41)49(51)52)57(53,54)45-43(50)33-13-17-36(18-14-33)48-27-25-47(26-28-48)30-34-9-7-8-12-40(34)32-15-19-37(55-3)20-16-32/h4-22,29,35,44H,23-28,30-31H2,1-3H3,(H,45,50)/t35-/m1/s1
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<0.5n/a<60n/a 30n/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)
BDBM21445
PNG
(4-(4-{[2-(2-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-33(30-55-35-11-4-3-5-12-35)44-40-21-20-36(28-41(40)49(51)52)56(53,54)45-42(50)31-16-18-34(19-17-31)48-26-24-47(25-27-48)29-32-10-6-7-13-37(32)38-14-8-9-15-39(38)43/h3-21,28,33,44H,22-27,29-30H2,1-2H3,(H,45,50)/t33-/m1/s1
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<0.5n/a<60n/a 56n/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)
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)
BDBM21414
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8f | 4-{4-...)
Show SMILES COC1(Cc2ccccc2Cl)CCN(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/C38H44ClN5O6S2/c1-42(2)22-19-30(27-51-32-10-5-4-6-11-32)40-35-18-17-33(25-36(35)44(46)47)52(48,49)41-37(45)28-13-15-31(16-14-28)43-23-20-38(50-3,21-24-43)26-29-9-7-8-12-34(29)39/h4-18,25,30,40H,19-24,26-27H2,1-3H3,(H,41,45)/t30-/m1/s1
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<0.5<-12.7 62n/a 230n/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)
BDBM21418
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8j | N-[(4...)
Show SMILES COC1(Cc2ccccc2C)CCN(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/C39H47N5O6S2/c1-29-10-8-9-11-31(29)27-39(50-4)21-24-43(25-22-39)33-16-14-30(15-17-33)38(45)41-52(48,49)35-18-19-36(37(26-35)44(46)47)40-32(20-23-42(2)3)28-51-34-12-6-5-7-13-34/h5-19,26,32,40H,20-25,27-28H2,1-4H3,(H,41,45)/t32-/m1/s1
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<0.5<-12.7 71n/a 150n/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)
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)
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)
BDBM21432
PNG
(4-Piperidinebenzylidene derivative, 10k | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C43H45N5O5S2/c1-46(2)26-25-36(31-54-38-14-7-4-8-15-38)44-41-22-21-39(30-42(41)48(50)51)55(52,53)45-43(49)34-17-19-37(20-18-34)47-27-23-32(24-28-47)29-35-13-9-10-16-40(35)33-11-5-3-6-12-33/h3-22,29-30,36,44H,23-28,31H2,1-2H3,(H,45,49)/t36-/m1/s1
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<0.5n/a 83n/a 160n/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)
BDBM21446
PNG
(4-(4-{[2-(3-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)22-21-35(30-55-37-12-4-3-5-13-37)44-40-20-19-38(28-41(40)49(51)52)56(53,54)45-42(50)31-15-17-36(18-16-31)48-25-23-47(24-26-48)29-33-9-6-7-14-39(33)32-10-8-11-34(43)27-32/h3-20,27-28,35,44H,21-26,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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<0.5n/a 140n/a 180n/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)
BDBM21415
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8g | 4-{4-...)
Show SMILES COC1(Cc2cccc(Cl)c2)CCN(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/C38H44ClN5O6S2/c1-42(2)21-18-31(27-51-33-10-5-4-6-11-33)40-35-17-16-34(25-36(35)44(46)47)52(48,49)41-37(45)29-12-14-32(15-13-29)43-22-19-38(50-3,20-23-43)26-28-8-7-9-30(39)24-28/h4-17,24-25,31,40H,18-23,26-27H2,1-3H3,(H,41,45)/t31-/m1/s1
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<0.5<-12.7 170n/a 250n/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)
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)
BDBM21426
PNG
(4-Piperidinebenzylidene derivative, 10e | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C38H40F3N5O5S2/c1-44(2)21-20-30(26-52-32-9-4-3-5-10-32)42-35-17-16-33(25-36(35)46(48)49)53(50,51)43-37(47)28-12-14-31(15-13-28)45-22-18-27(19-23-45)24-29-8-6-7-11-34(29)38(39,40)41/h3-17,24-25,30,42H,18-23,26H2,1-2H3,(H,43,47)/t30-/m1/s1
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<0.5<-12.7 300n/a 150n/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)
BDBM21425
PNG
(4-Piperidinebenzylidene derivative, 10d | 4-{4-[(4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccc(Cl)cc1
Show InChI InChI=1S/C37H40ClN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1
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<0.5<-12.7 510n/a 620n/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)
BDBM21429
PNG
(4-Piperidinebenzylidene derivative, 10h | 4-{4-[(2...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1C#N
Show InChI InChI=1S/C38H40N6O5S2/c1-42(2)21-20-32(27-50-34-10-4-3-5-11-34)40-36-17-16-35(25-37(36)44(46)47)51(48,49)41-38(45)29-12-14-33(15-13-29)43-22-18-28(19-23-43)24-30-8-6-7-9-31(30)26-39/h3-17,24-25,32,40H,18-23,27H2,1-2H3,(H,41,45)/t32-/m1/s1
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<0.5<-12.7 520n/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)
BDBM21424
PNG
(4-Piperidinebenzylidene derivative, 10c | 4-{4-[(2...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1Cl
Show InChI InChI=1S/C37H40ClN5O5S2/c1-41(2)21-20-30(26-49-32-9-4-3-5-10-32)39-35-17-16-33(25-36(35)43(45)46)50(47,48)40-37(44)28-12-14-31(15-13-28)42-22-18-27(19-23-42)24-29-8-6-7-11-34(29)38/h3-17,24-25,30,39H,18-23,26H2,1-2H3,(H,40,44)/t30-/m1/s1
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<0.5<-12.7 700n/a 350n/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)
BDBM21423
PNG
(4-Piperidinebenzylidene derivative, 10b | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1F
Show InChI InChI=1S/C37H40FN5O5S2/c1-41(2)21-20-30(26-49-32-9-4-3-5-10-32)39-35-17-16-33(25-36(35)43(45)46)50(47,48)40-37(44)28-12-14-31(15-13-28)42-22-18-27(19-23-42)24-29-8-6-7-11-34(29)38/h3-17,24-25,30,39H,18-23,26H2,1-2H3,(H,40,44)/t30-/m1/s1
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<0.5<-12.7 750n/a 250n/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)
BDBM21405
PNG
(4-Piperidinebenzylidene derivative, 10a | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccc(F)cc1
Show InChI InChI=1S/C37H40FN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1
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<0.5<-12.7n/an/a 380n/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)
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)
BDBM21428
PNG
(4-Piperidinebenzylidene derivative, 10g | N-[(4-{[...)
Show SMILES COc1ccccc1C=C1CCN(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/C38H43N5O6S2/c1-41(2)22-21-31(27-50-33-10-5-4-6-11-33)39-35-18-17-34(26-36(35)43(45)46)51(47,48)40-38(44)29-13-15-32(16-14-29)42-23-19-28(20-24-42)25-30-9-7-8-12-37(30)49-3/h4-18,25-26,31,39H,19-24,27H2,1-3H3,(H,40,44)/t31-/m1/s1
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0.600 -12.6 760n/a 300n/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)
BDBM21413
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8d | 4-[4-...)
Show SMILES COC1(CC2CCCCC2)CCN(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/C38H51N5O6S2/c1-41(2)23-20-31(28-50-33-12-8-5-9-13-33)39-35-19-18-34(26-36(35)43(45)46)51(47,48)40-37(44)30-14-16-32(17-15-30)42-24-21-38(49-3,22-25-42)27-29-10-6-4-7-11-29/h5,8-9,12-19,26,29,31,39H,4,6-7,10-11,20-25,27-28H2,1-3H3,(H,40,44)/t31-/m1/s1
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0.800 -12.4 300n/a 320n/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)
BDBM21400
PNG
(CHEMBL192571 | N-[(4-{[(2R)-4-(dimethylamino)-1-(p...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
Show InChI InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-12-10-24(11-13-26)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-25(16-19-35(3)4)23-43-27-8-6-5-7-9-27/h5-15,22,25,33H,16-21,23H2,1-4H3,(H,34,38)/t25-/m1/s1
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0.800 -12.4n/an/a 470n/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)
BDBM21417
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8i | N-[(4...)
Show SMILES COC1(Cc2ccccc2F)CCN(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/C38H44FN5O6S2/c1-42(2)22-19-30(27-51-32-10-5-4-6-11-32)40-35-18-17-33(25-36(35)44(46)47)52(48,49)41-37(45)28-13-15-31(16-14-28)43-23-20-38(50-3,21-24-43)26-29-9-7-8-12-34(29)39/h4-18,25,30,40H,19-24,26-27H2,1-3H3,(H,41,45)/t30-/m1/s1
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0.900 -12.3 79n/a 180n/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)
BDBM21422
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8n | N-[(4...)
Show SMILES COC1(Cc2ccc(cc2)-c2ccccc2)CCN(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/C44H49N5O6S2/c1-47(2)27-24-37(32-56-39-12-8-5-9-13-39)45-41-23-22-40(30-42(41)49(51)52)57(53,54)46-43(50)36-18-20-38(21-19-36)48-28-25-44(55-3,26-29-48)31-33-14-16-35(17-15-33)34-10-6-4-7-11-34/h4-23,30,37,45H,24-29,31-32H2,1-3H3,(H,46,50)/t37-/m1/s1
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0.900 -12.3 160n/a 600n/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)
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM21416
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8h | 4-{4-...)
Show SMILES COC1(Cc2ccc(Cl)cc2)CCN(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/C38H44ClN5O6S2/c1-42(2)22-19-31(27-51-33-7-5-4-6-8-33)40-35-18-17-34(25-36(35)44(46)47)52(48,49)41-37(45)29-11-15-32(16-12-29)43-23-20-38(50-3,21-24-43)26-28-9-13-30(39)14-10-28/h4-18,25,31,40H,19-24,26-27H2,1-3H3,(H,41,45)/t31-/m1/s1
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0.900 -12.3 200n/a 400n/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)
BDBM21448
PNG
(N-Benylpiperazine derivative, 23p | 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-c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C48H50N6O5S2/c1-51(2)28-27-41(35-60-43-14-7-4-8-15-43)49-46-26-25-44(33-47(46)54(56)57)61(58,59)50-48(55)39-21-23-42(24-22-39)53-31-29-52(30-32-53)34-40-13-9-10-16-45(40)38-19-17-37(18-20-38)36-11-5-3-6-12-36/h3-26,33,41,49H,27-32,34-35H2,1-2H3,(H,50,55)/t41-/m1/s1
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1n/a 100n/a 22n/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
Bcl-2-like protein 1


(Homo sapiens)
BDBM21419
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8k | N-[(4...)
Show SMILES COc1ccccc1CC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC
Show InChI InChI=1S/C39H47N5O7S2/c1-42(2)23-20-31(28-52-33-11-6-5-7-12-33)40-35-19-18-34(26-36(35)44(46)47)53(48,49)41-38(45)29-14-16-32(17-15-29)43-24-21-39(51-4,22-25-43)27-30-10-8-9-13-37(30)50-3/h5-19,26,31,40H,20-25,27-28H2,1-4H3,(H,41,45)/t31-/m1/s1
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1.10 -12.2 75n/a 150n/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)
BDBM21412
PNG
(4-(4-butyl-4-methoxypiperidin-1-yl)-N-[(4-{[(2R)-4...)
Show SMILES CCCCC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC
Show InChI InChI=1S/C35H47N5O6S2/c1-5-6-19-35(46-4)20-23-39(24-21-35)29-14-12-27(13-15-29)34(41)37-48(44,45)31-16-17-32(33(25-31)40(42)43)36-28(18-22-38(2)3)26-47-30-10-8-7-9-11-30/h7-17,25,28,36H,5-6,18-24,26H2,1-4H3,(H,37,41)/t28-/m1/s1
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1.30 -12.1 312n/a 8.00E+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)
BDBM21431
PNG
(4-Piperidinebenzylidene derivative, 10j | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1cccnc1
Show InChI InChI=1S/C36H40N6O5S2/c1-40(2)20-18-30(26-48-32-8-4-3-5-9-32)38-34-15-14-33(24-35(34)42(44)45)49(46,47)39-36(43)29-10-12-31(13-11-29)41-21-16-27(17-22-41)23-28-7-6-19-37-25-28/h3-15,19,23-25,30,38H,16-18,20-22,26H2,1-2H3,(H,39,43)/t30-/m1/s1
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1.30n/a 2.80E+3n/a 1.90E+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-2-like protein 1


(Homo sapiens)
BDBM21427
PNG
(4-Piperidinebenzylidene derivative, 10f | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C38H40F3N5O5S2/c1-44(2)21-20-31(26-52-33-6-4-3-5-7-33)42-35-17-16-34(25-36(35)46(48)49)53(50,51)43-37(47)29-10-14-32(15-11-29)45-22-18-28(19-23-45)24-27-8-12-30(13-9-27)38(39,40)41/h3-17,24-25,31,42H,18-23,26H2,1-2H3,(H,43,47)/t31-/m1/s1
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1.40 -12.1 1.30E+3n/a 2.60E+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)
BDBM21403
PNG
(4-{3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl...)
Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(C[C-](Cc3ccccc3)N=[O+]2)CC1
Show InChI InChI=1S/C39H44N6O6S2/c1-43(2)22-19-31(28-52-34-11-7-4-8-12-34)40-36-18-17-35(26-37(36)45(47)48)53(49,50)42-38(46)30-13-15-33(16-14-30)44-23-20-39(21-24-44)27-32(41-51-39)25-29-9-5-3-6-10-29/h3-18,26,31,40H,19-25,27-28H2,1-2H3,(H,42,46)
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1.70 -12.0n/an/a 2.34E+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)
BDBM21401
PNG
(4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[(4-{[(2R)-...)
Show SMILES COC1(Cc2ccccc2)CCN(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/C38H45N5O6S2/c1-41(2)23-20-31(28-50-33-12-8-5-9-13-33)39-35-19-18-34(26-36(35)43(45)46)51(47,48)40-37(44)30-14-16-32(17-15-30)42-24-21-38(49-3,22-25-42)27-29-10-6-4-7-11-29/h4-19,26,31,39H,20-25,27-28H2,1-3H3,(H,40,44)/t31-/m1/s1
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1.80 -11.9 150n/a 680n/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)
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM21430
PNG
(4-Piperidinebenzylidene derivative, 10i | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccn1
Show InChI InChI=1S/C36H40N6O5S2/c1-40(2)21-19-30(26-48-32-9-4-3-5-10-32)38-34-16-15-33(25-35(34)42(44)45)49(46,47)39-36(43)28-11-13-31(14-12-28)41-22-17-27(18-23-41)24-29-8-6-7-20-37-29/h3-16,20,24-25,30,38H,17-19,21-23,26H2,1-2H3,(H,39,43)/t30-/m1/s1
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3.60n/a 700n/a 550n/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)
BDBM21404
PNG
(4-{4-benzyl-2-methyl-3-oxo-1-oxa-4,8-diazaspiro[4....)
Show SMILES CC1OC2(CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C40H46N6O7S2/c1-29-39(48)45(27-30-10-6-4-7-11-30)40(53-29)21-24-44(25-22-40)33-16-14-31(15-17-33)38(47)42-55(51,52)35-18-19-36(37(26-35)46(49)50)41-32(20-23-43(2)3)28-54-34-12-8-5-9-13-34/h4-19,26,29,32,41H,20-25,27-28H2,1-3H3,(H,42,47)/t29?,32-/m1/s1
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3.70 -11.5n/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
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM21402
PNG
(N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)b...)
Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(C[C-](N=[O+]2)c2ccccc2)CC1
Show InChI InChI=1S/C38H42N6O6S2/c1-42(2)22-19-30(27-51-32-11-7-4-8-12-32)39-34-18-17-33(25-36(34)44(46)47)52(48,49)41-37(45)29-13-15-31(16-14-29)43-23-20-38(21-24-43)26-35(40-50-38)28-9-5-3-6-10-28/h3-18,25,30,39H,19-24,26-27H2,1-2H3,(H,41,45)
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4.40 -11.4n/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)
BDBM21411
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8b | N-[(4...)
Show SMILES COC1(CC(C)(C)C)CCN(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/C36H49N5O6S2/c1-35(2,3)26-36(47-6)19-22-40(23-20-36)29-14-12-27(13-15-29)34(42)38-49(45,46)31-16-17-32(33(24-31)41(43)44)37-28(18-21-39(4)5)25-48-30-10-8-7-9-11-30/h7-17,24,28,37H,18-23,25-26H2,1-6H3,(H,38,42)/t28-/m1/s1
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4.60 -11.4 440n/a 750n/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
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