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Compile Data Set for Download or QSAR

Found 2383 hits Enz. Inhib. hit(s) with Target = 'Apoptosis Regulator Bcl-xL'   
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
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<-53.1n/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)
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<-53.1 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)
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<-53.1 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)
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<-53.1 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<-53.1 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)
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<-53.1 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<-53.1 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)
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<-53.1 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)
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<-53.1 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)
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<-53.1<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)
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<-53.1<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)
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 -52.6 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 -51.9 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 -51.9n/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)
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 -51.6 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)
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 -51.6 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)
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 -51.6 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)
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<-51.4n/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 -51.1 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 -50.7 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)
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 -50.5 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 -50.1n/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 -49.9 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 -49.1n/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 -49.0n/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)
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 -48.1n/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 -47.9n/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 -47.7n/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)
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 -47.6 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
Bcl-2-like protein 1


(Homo sapiens)
BDBM21410
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8a | N-[(4...)
Show SMILES COC1(CC(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/C35H47N5O6S2/c1-26(2)24-35(46-5)18-21-39(22-19-35)29-13-11-27(12-14-29)34(41)37-48(44,45)31-15-16-32(33(23-31)40(42)43)36-28(17-20-38(3)4)25-47-30-9-7-6-8-10-30/h6-16,23,26,28,36H,17-22,24-25H2,1-5H3,(H,37,41)/t28-/m1/s1
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6.10 -46.9 360n/a 580n/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)
BDBM31406
PNG
(terphenyl scaffold, 14)
Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1cccc2ccccc12)-c1ccc(CCC(O)=O)cc1CC(C)C
Show InChI InChI=1S/C42H44O5/c1-27(2)20-34-22-29(13-19-41(43)44)12-16-38(34)32-14-17-39(33-15-18-40(47-26-42(45)46)36(25-33)21-28(3)4)35(24-32)23-31-10-7-9-30-8-5-6-11-37(30)31/h5-12,14-18,22,24-25,27-28H,13,19-21,23,26H2,1-4H3,(H,43,44)(H,45,46)
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114 -39.6n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31373
PNG
(CHEMBL28137 | terephthalamide scaffold, 9)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C
Show InChI InChI=1S/C24H38N2O5/c1-14(2)12-20(24(29)30-9)25-22(27)19-11-10-18(13-21(19)31-17(7)8)23(28)26(15(3)4)16(5)6/h10-11,13-17,20H,12H2,1-9H3,(H,25,27)/t20-/m0/s1
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780 -34.9n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31374
PNG
(CHEMBL286715 | terephthalamide scaffold, 10)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C23H36N2O5/c1-13(2)11-19(23(28)29)24-21(26)18-10-9-17(12-20(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h9-10,12-16,19H,11H2,1-8H3,(H,24,26)(H,28,29)/t19-/m0/s1
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840 -34.7n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31381
PNG
(CHEMBL282624 | terephthalamide scaffold, 29)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C26H34N2O5/c1-16(2)14-22(26(31)32)27-24(29)21-13-12-19(25(30)28(17(3)4)18(5)6)15-23(21)33-20-10-8-7-9-11-20/h7-13,15-18,22H,14H2,1-6H3,(H,27,29)(H,31,32)/t22-/m0/s1
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1.01E+3 -34.2n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31379
PNG
(CHEMBL28872 | terephthalamide scaffold, 27)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C
Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m1/s1
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1.79E+3 -32.8n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31408
PNG
(terphenyl scaffold, 16)
Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC(O)=O)cc1CC(C)C
Show InChI InChI=1S/C38H42O5/c1-25(2)18-31-21-28(11-17-37(39)40)10-14-34(31)29-12-15-35(32(22-29)20-27-8-6-5-7-9-27)30-13-16-36(43-24-38(41)42)33(23-30)19-26(3)4/h5-10,12-16,21-23,25-26H,11,17-20,24H2,1-4H3,(H,39,40)(H,41,42)
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1.82E+3 -32.8n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31378
PNG
(CHEMBL284686 | terephthalamide scaffold, 26)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C
Show InChI InChI=1S/C22H34N2O5/c1-13(2)11-18(22(27)29-8)23-20(25)17-10-9-16(12-19(17)28-7)21(26)24(14(3)4)15(5)6/h9-10,12-15,18H,11H2,1-8H3,(H,23,25)/t18-/m0/s1
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PubMed
1.85E+3 -32.7n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31407
PNG
(terphenyl scaffold, 15)
Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1C(C)C)-c1ccc(CCC(O)=O)cc1CC(C)C
Show InChI InChI=1S/C34H42O5/c1-21(2)15-27-17-24(8-14-33(35)36)7-11-29(27)26-9-12-30(31(19-26)23(5)6)25-10-13-32(39-20-34(37)38)28(18-25)16-22(3)4/h7,9-13,17-19,21-23H,8,14-16,20H2,1-6H3,(H,35,36)(H,37,38)
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PubMed
2.09E+3 -32.4n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31380
PNG
(terephthalamide scaffold, 28)
Show SMILES COc1cc(ccc1C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N(C(C)C)C(C)C
Show InChI InChI=1S/C21H32N2O5/c1-12(2)10-17(21(26)27)22-19(24)16-9-8-15(11-18(16)28-7)20(25)23(13(3)4)14(5)6/h8-9,11-14,17H,10H2,1-7H3,(H,22,24)(H,26,27)/t17-/m0/s1
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PubMed
2.31E+3 -32.2n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31412
PNG
(terphenyl scaffold, 20)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(C)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
Show InChI InChI=1S/C33H32O5/c1-21-15-25(10-14-31(34)35)9-12-29(21)27-16-22(2)33(23(3)17-27)26-11-13-30(38-20-32(36)37)28(19-26)18-24-7-5-4-6-8-24/h4-9,11-13,15-17,19H,10,14,18,20H2,1-3H3,(H,34,35)(H,36,37)
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PubMed
2.34E+3 -32.1n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31390
PNG
(terephthalamide scaffold, 37)
Show SMILES CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1
Show InChI InChI=1S/C19H28N2O5/c1-7-21(8-2)18(23)14-9-10-15(16(11-14)26-12(3)4)17(22)20-13(5)19(24)25-6/h9-13H,7-8H2,1-6H3,(H,20,22)/t13-/m0/s1
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PubMed
2.44E+3 -32.0n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31409
PNG
(terphenyl scaffold, 17)
Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccc2ccccc2c1)-c1ccc(CCC(O)=O)cc1CC(C)C
Show InChI InChI=1S/C42H44O5/c1-27(2)19-35-21-29(11-18-41(43)44)10-15-38(35)33-13-16-39(34-14-17-40(47-26-42(45)46)37(25-34)20-28(3)4)36(24-33)23-30-9-12-31-7-5-6-8-32(31)22-30/h5-10,12-17,21-22,24-25,27-28H,11,18-20,23,26H2,1-4H3,(H,43,44)(H,45,46)
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PubMed
2.50E+3 -32.0n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31411
PNG
(terphenyl scaffold, 19)
Show SMILES CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1ccc(OCC(O)=O)c(Cc2cccc3ccccc23)c1
Show InChI InChI=1S/C42H44O5/c1-27(2)20-34-22-29(13-19-41(43)44)12-16-38(34)32-14-17-39(35(23-32)21-28(3)4)33-15-18-40(47-26-42(45)46)36(25-33)24-31-10-7-9-30-8-5-6-11-37(30)31/h5-12,14-18,22-23,25,27-28H,13,19-21,24,26H2,1-4H3,(H,43,44)(H,45,46)
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PubMed
2.70E+3 -31.8n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31410
PNG
(terphenyl scaffold, 18)
Show SMILES CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
Show InChI InChI=1S/C41H40O5/c1-28(2)21-34-23-31(14-20-40(42)43)13-17-37(34)32-15-18-38(35(25-32)22-29-9-5-3-6-10-29)33-16-19-39(46-27-41(44)45)36(26-33)24-30-11-7-4-8-12-30/h3-13,15-19,23,25-26,28H,14,20-22,24,27H2,1-2H3,(H,42,43)(H,44,45)
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2.73E+3 -31.8n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31387
PNG
(terephthalamide scaffold, 34)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C
Show InChI InChI=1S/C20H30N2O5/c1-12(2)10-16(20(25)26-7)21-18(23)15-9-8-14(19(24)22(5)6)11-17(15)27-13(3)4/h8-9,11-13,16H,10H2,1-7H3,(H,21,23)/t16-/m0/s1
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PubMed
3.14E+3 -31.4n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31420
PNG
(terphenyl scaffold, 28)
Show SMILES CCc1cc(ccc1-c1cccc(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)cc1C(C)C
Show InChI InChI=1S/C32H32O3/c1-4-25-19-27(30-16-14-28(35-21-32(33)34)20-31(30)22(2)3)13-15-29(25)26-12-8-11-24(18-26)17-23-9-6-5-7-10-23/h5-16,18-20,22H,4,17,21H2,1-3H3,(H,33,34)
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PubMed
3.27E+3 -31.3n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31385
PNG
(CHEMBL281240 | terephthalamide scaffold, 17)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C23H37N3O4/c1-13(2)11-20(23(29)30)25-21(27)18-10-9-17(12-19(18)24-14(3)4)22(28)26(15(5)6)16(7)8/h9-10,12-16,20,24H,11H2,1-8H3,(H,25,27)(H,29,30)/t20-/m0/s1
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3.31E+3 -31.3n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31419
PNG
(terphenyl scaffold, 27)
Show SMILES CC(C)Cc1cc(OCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1cccc(c1)C(C)C
Show InChI InChI=1S/C31H38O3/c1-20(2)14-26-17-25(10-12-29(26)24-9-7-8-23(16-24)22(5)6)30-13-11-28(34-19-31(32)33)18-27(30)15-21(3)4/h7-13,16-18,20-22H,14-15,19H2,1-6H3,(H,32,33)
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PubMed
4.82E+3 -30.3n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31376
PNG
(CHEMBL433422 | terephthalamide scaffold, 24)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C23H36N2O5/c1-13(2)20(23(28)29-9)24-21(26)18-11-10-17(12-19(18)30-16(7)8)22(27)25(14(3)4)15(5)6/h10-16,20H,1-9H3,(H,24,26)/t20-/m0/s1
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Article
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5.85E+3 -29.9n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 5463-8 (2005)


Article DOI: 10.1021/ja0446404
BindingDB Entry DOI: 10.7270/Q29Z937V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM31421
PNG
(CHEMBL43232 | terphenyl scaffold, 29)
Show SMILES CCc1cc(ccc1-c1cccc(Cc2cccc3ccccc23)c1)-c1ccc(OCC(O)=O)cc1C(C)C
Show InChI InChI=1S/C36H34O3/c1-4-26-21-30(34-18-16-31(39-23-36(37)38)22-35(34)24(2)3)15-17-33(26)29-12-7-9-25(20-29)19-28-13-8-11-27-10-5-6-14-32(27)28/h5-18,20-22,24H,4,19,23H2,1-3H3,(H,37,38)
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6.88E+3 -29.5n/an/an/an/an/a7.425



Yale University



Assay Description
Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were...


J Am Chem Soc 127: 10191-6 (2005)


Article DOI: 10.1021/ja050122x
BindingDB Entry DOI: 10.7270/Q2668BHF
More data for this
Ligand-Target Pair
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