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Compile Data Set for Download or QSAR

Found 47 hits of ic50 data for polymerid = 3987   
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
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109236
PNG
(WEHI-539)
Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1 |w:26.27|
Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)
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n/an/a 1.10n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109235
PNG
((E)-2-(8-(2-(Benzo[d]thiazol-2-yl)hydrazono)-5,6,7...)
Show SMILES OC(=O)c1nc(sc1CCCCc1ccccc1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:26.28|
Show InChI InChI=1S/C31H28N4O2S2/c36-30(37)28-27(16-6-4-11-20-9-2-1-3-10-20)38-29(33-28)22-18-17-21-12-8-14-24(23(21)19-22)34-35-31-32-25-13-5-7-15-26(25)39-31/h1-3,5,7,9-10,13,15,17-19H,4,6,8,11-12,14,16H2,(H,32,35)(H,36,37)
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n/an/a 1.5n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361589
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2n(CC3CCOCC3)ncc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:52|
Show InChI InChI=1S/C47H49ClN8O7S/c48-35-4-2-32(3-5-35)40-26-47(12-1-13-47)14-8-34(40)30-53-16-18-54(19-17-53)36-6-7-39(44(23-36)63-37-22-33-9-15-49-45(33)50-27-37)46(57)52-64(60,61)38-24-42-41(43(25-38)56(58)59)28-51-55(42)29-31-10-20-62-21-11-31/h2-7,9,15,22-25,27-28,31H,1,8,10-14,16-21,26,29-30H2,(H,49,50)(H,52,57)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/a 5n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361577
PNG
((S)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |r,t:49|
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n/an/a 5.90n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109234
PNG
(6-(8-(2-(Benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-t...)
Show SMILES OC(=O)c1nc(ccc1OCCCOc1ccccc1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:28.30|
Show InChI InChI=1S/C32H28N4O4S/c37-31(38)30-28(40-19-7-18-39-23-9-2-1-3-10-23)17-16-25(33-30)22-15-14-21-8-6-12-26(24(21)20-22)35-36-32-34-27-11-4-5-13-29(27)41-32/h1-5,9-11,13-17,20H,6-8,12,18-19H2,(H,34,36)(H,37,38)
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n/an/a 6.20n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361579
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1 |t:49|
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n/an/a 6.40n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109236
PNG
(WEHI-539)
Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1 |w:26.27|
Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)
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n/an/a 7.10 1.40n/an/an/a7.4n/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361590
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nn(CC3CCOCC3)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:52|
Show InChI InChI=1S/C47H49ClN8O7S/c48-35-4-2-32(3-5-35)40-26-47(12-1-13-47)14-8-34(40)29-53-16-18-54(19-17-53)36-6-7-39(44(23-36)63-37-22-33-9-15-49-45(33)50-27-37)46(57)52-64(60,61)38-24-42-41(43(25-38)56(58)59)30-55(51-42)28-31-10-20-62-21-11-31/h2-7,9,15,22-25,27,30-31H,1,8,10-14,16-21,26,28-29H2,(H,49,50)(H,52,57)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361575
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:40|
Show InChI InChI=1S/C40H39ClN6O6S/c41-30-7-5-27(6-8-30)36-24-40(13-2-14-40)15-11-29(36)26-45-17-19-46(20-18-45)31-9-10-35(37(23-31)53-33-21-28-12-16-42-38(28)43-25-33)39(48)44-54(51,52)34-4-1-3-32(22-34)47(49)50/h1,3-10,12,16,21-23,25H,2,11,13-15,17-20,24,26H2,(H,42,43)(H,44,48)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361591
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2n(ncc12)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:51|
Show InChI InChI=1S/C46H47ClN8O7S/c47-33-4-2-30(3-5-33)39-26-46(12-1-13-46)14-8-32(39)29-52-16-18-53(19-17-52)35-6-7-38(43(23-35)62-36-22-31-9-15-48-44(31)49-27-36)45(56)51-63(59,60)37-24-41-40(42(25-37)55(57)58)28-50-54(41)34-10-20-61-21-11-34/h2-7,9,15,22-25,27-28,34H,1,8,10-14,16-21,26,29H2,(H,48,49)(H,51,56)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361572
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:44,49|
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361592
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nn(cc12)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:51|
Show InChI InChI=1S/C46H47ClN8O7S/c47-33-4-2-30(3-5-33)39-26-46(12-1-13-46)14-8-32(39)28-52-16-18-53(19-17-52)35-6-7-38(43(23-35)62-36-22-31-9-15-48-44(31)49-27-36)45(56)51-63(59,60)37-24-41-40(42(25-37)55(57)58)29-54(50-41)34-10-20-61-21-11-34/h2-7,9,15,22-25,27,29,34H,1,8,10-14,16-21,26,28H2,(H,48,49)(H,51,56)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361573
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1 |t:49|
Show InChI InChI=1S/C45H48ClN7O8S/c46-34-3-1-31(2-4-34)39-24-45(28-60-29-45)13-9-33(39)27-51-15-17-52(18-16-51)35-5-7-38(42(22-35)61-36-21-32-10-14-47-43(32)49-26-36)44(54)50-62(57,58)37-6-8-40(41(23-37)53(55)56)48-25-30-11-19-59-20-12-30/h1-8,10,14,21-23,26,30,48H,9,11-13,15-20,24-25,27-29H2,(H,47,49)(H,50,54)
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n/an/a 10.6n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361593
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nc([nH]c12)-c1ccncc1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:51|
Show InChI InChI=1S/C46H42ClN9O6S/c47-33-4-2-29(3-5-33)38-26-46(12-1-13-46)14-8-32(38)28-54-18-20-55(21-19-54)34-6-7-37(41(23-34)62-35-22-31-11-17-49-43(31)50-27-35)45(57)53-63(60,61)36-24-39-42(40(25-36)56(58)59)52-44(51-39)30-9-15-48-16-10-30/h2-7,9-11,15-17,22-25,27H,1,8,12-14,18-21,26,28H2,(H,49,50)(H,51,52)(H,53,57)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109233
PNG
(2-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...)
Show SMILES OC(=O)c1csc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
Show InChI InChI=1S/C21H16N4O2S2/c26-20(27)17-11-28-19(22-17)13-9-8-12-4-3-6-15(14(12)10-13)24-25-21-23-16-5-1-2-7-18(16)29-21/h1-2,5,7-11H,3-4,6H2,(H,23,25)(H,26,27)
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n/an/a 13n/an/an/an/a7.4n/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361588
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2cn(CC3CCOCC3)nc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:52|
Show InChI InChI=1S/C47H49ClN8O7S/c48-36-4-2-32(3-5-36)41-26-47(12-1-13-47)14-8-34(41)29-53-16-18-54(19-17-53)37-6-7-40(43(24-37)63-38-22-33-9-15-49-45(33)50-27-38)46(57)52-64(60,61)39-23-35-30-55(28-31-10-20-62-21-11-31)51-44(35)42(25-39)56(58)59/h2-7,9,15,22-25,27,30-31H,1,8,10-14,16-21,26,28-29H2,(H,49,50)(H,52,57)
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n/an/a 13.1n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361574
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:49|
Show InChI InChI=1S/C46H50ClN7O7S/c47-35-4-2-32(3-5-35)40-27-46(14-1-15-46)16-10-34(40)30-52-18-20-53(21-19-52)36-6-8-39(43(25-36)61-37-24-33-11-17-48-44(33)50-29-37)45(55)51-62(58,59)38-7-9-41(42(26-38)54(56)57)49-28-31-12-22-60-23-13-31/h2-9,11,17,24-26,29,31,49H,1,10,12-16,18-23,27-28,30H2,(H,48,50)(H,51,55)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/a 14n/an/an/an/a7.4n/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361581
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:42|
Show InChI InChI=1S/C41H42ClN7O6S/c1-43-36-10-8-33(23-37(36)49(51)52)56(53,54)46-40(50)34-9-7-31(22-38(34)55-32-21-28-12-16-44-39(28)45-25-32)48-19-17-47(18-20-48)26-29-11-15-41(13-2-14-41)24-35(29)27-3-5-30(42)6-4-27/h3-10,12,16,21-23,25,43H,2,11,13-15,17-20,24,26H2,1H3,(H,44,45)(H,46,50)
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n/an/a 14n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361576
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1 |t:44,49|
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n/an/a 14n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361584
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:49|
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n/an/a 14.8n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361578
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:44,49|
Show InChI InChI=1S/C47H49ClN6O7S/c48-37-5-2-33(3-6-37)41-27-47(16-1-17-47)18-10-36(41)30-53-20-12-32(13-21-53)34-4-8-40(44(25-34)61-38-24-35-11-19-49-45(35)51-29-38)46(55)52-62(58,59)39-7-9-42(43(26-39)54(56)57)50-28-31-14-22-60-23-15-31/h2-9,11-12,19,24-26,29,31,50H,1,10,13-18,20-23,27-28,30H2,(H,49,51)(H,52,55)
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n/an/a 15.7n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361585
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES CC(C)c1nc2cc(cc([N+]([O-])=O)c2[nH]1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:47|
Show InChI InChI=1S/C44H45ClN8O6S/c1-27(2)41-48-37-22-34(23-38(53(55)56)40(37)49-41)60(57,58)50-43(54)35-9-8-32(21-39(35)59-33-20-29-11-15-46-42(29)47-25-33)52-18-16-51(17-19-52)26-30-10-14-44(12-3-13-44)24-36(30)28-4-6-31(45)7-5-28/h4-9,11,15,20-23,25,27H,3,10,12-14,16-19,24,26H2,1-2H3,(H,46,47)(H,48,49)(H,50,54)
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n/an/a 19.2n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109232
PNG
(6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
Show InChI InChI=1S/C23H18N4O2S/c28-22(29)20-9-4-7-17(24-20)15-12-11-14-5-3-8-18(16(14)13-15)26-27-23-25-19-6-1-2-10-21(19)30-23/h1-2,4,6-7,9-13H,3,5,8H2,(H,25,27)(H,28,29)
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n/an/a 20n/an/an/an/a7.4n/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361580
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1 |t:44,49|
Show InChI InChI=1S/C46H47ClN6O8S/c47-36-4-1-32(2-5-36)40-24-46(28-60-29-46)15-9-35(40)27-52-17-11-31(12-18-52)33-3-7-39(43(22-33)61-37-21-34-10-16-48-44(34)50-26-37)45(54)51-62(57,58)38-6-8-41(42(23-38)53(55)56)49-25-30-13-19-59-20-14-30/h1-8,10-11,16,21-23,26,30,49H,9,12-15,17-20,24-25,27-29H2,(H,48,50)(H,51,54)
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n/an/a 20.6n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361586
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nc([nH]c12)C1CC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:48|
Show InChI InChI=1S/C44H43ClN8O6S/c45-31-6-4-27(5-7-31)36-24-44(12-1-13-44)14-10-30(36)26-51-16-18-52(19-17-51)32-8-9-35(39(21-32)59-33-20-29-11-15-46-41(29)47-25-33)43(54)50-60(57,58)34-22-37-40(38(23-34)53(55)56)49-42(48-37)28-2-3-28/h4-9,11,15,20-23,25,28H,1-3,10,12-14,16-19,24,26H2,(H,46,47)(H,48,49)(H,50,54)
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109232
PNG
(6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
Show InChI InChI=1S/C23H18N4O2S/c28-22(29)20-9-4-7-17(24-20)15-12-11-14-5-3-8-18(16(14)13-15)26-27-23-25-19-6-1-2-10-21(19)30-23/h1-2,4,6-7,9-13H,3,5,8H2,(H,25,27)(H,28,29)
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n/an/a 23n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109233
PNG
(2-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...)
Show SMILES OC(=O)c1csc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
Show InChI InChI=1S/C21H16N4O2S2/c26-20(27)17-11-28-19(22-17)13-9-8-12-4-3-6-15(14(12)10-13)24-25-21-23-16-5-1-2-7-18(16)29-21/h1-2,5,7-11H,3-4,6H2,(H,23,25)(H,26,27)
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n/an/a 24n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM218795
PNG
(130E7 | Ac-λIAQELRRIGDEFNAYYARR-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C110H171ClN36O32/c1-11-54(5)86(146-97(170)68(25-19-43-126-110(121)122)137-93(166)67(24-18-42-125-109(119)120)138-100(173)72(44-53(3)4)142-95(168)70(35-38-83(155)156)139-94(167)69(34-37-79(112)151)136-90(163)58(9)131-106(179)87(55(6)12-2)147-104(177)78(132-59(10)148)51-127-81(153)50-111)105(178)128-52-82(154)133-77(49-85(159)160)103(176)140-71(36-39-84(157)158)96(169)143-75(45-60-20-14-13-15-21-60)102(175)145-76(48-80(113)152)99(172)130-57(8)91(164)141-74(47-62-28-32-64(150)33-29-62)101(174)144-73(46-61-26-30-63(149)31-27-61)98(171)129-56(7)89(162)135-66(23-17-41-124-108(117)118)92(165)134-65(88(114)161)22-16-40-123-107(115)116/h13-15,20-21,26-33,53-58,65-78,86-87,149-150H,11-12,16-19,22-25,34-52H2,1-10H3,(H2,112,151)(H2,113,152)(H2,114,161)(H,127,153)(H,128,178)(H,129,171)(H,130,172)(H,131,179)(H,132,148)(H,133,154)(H,134,165)(H,135,162)(H,136,163)(H,137,166)(H,138,173)(H,139,167)(H,140,176)(H,141,164)(H,142,168)(H,143,169)(H,144,174)(H,145,175)(H,146,170)(H,147,177)(H,155,156)(H,157,158)(H,159,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t54-,55-,56-,57-,58-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,86-,87-/m0/s1
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n/an/a 46.5n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361587
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2cnn(CC3CCOCC3)c12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:52|
Show InChI InChI=1S/C47H49ClN8O7S/c48-36-4-2-32(3-5-36)41-26-47(12-1-13-47)14-8-34(41)30-53-16-18-54(19-17-53)37-6-7-40(43(24-37)63-38-22-33-9-15-49-45(33)50-28-38)46(57)52-64(60,61)39-23-35-27-51-55(29-31-10-20-62-21-11-31)44(35)42(25-39)56(58)59/h2-7,9,15,22-25,27-28,31H,1,8,10-14,16-21,26,29-30H2,(H,49,50)(H,52,57)
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n/an/a 67.5n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361582
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES CN(C)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:43|
Show InChI InChI=1S/C42H44ClN7O6S/c1-47(2)37-11-9-34(24-38(37)50(52)53)57(54,55)46-41(51)35-10-8-32(23-39(35)56-33-22-29-13-17-44-40(29)45-26-33)49-20-18-48(19-21-49)27-30-12-16-42(14-3-15-42)25-36(30)28-4-6-31(43)7-5-28/h4-11,13,17,22-24,26H,3,12,14-16,18-21,25,27H2,1-2H3,(H,44,45)(H,46,51)
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n/an/a 77.8n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM361583
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |t:49|
Show InChI InChI=1S/C47H51ClN6O7S/c48-37-5-2-33(3-6-37)41-27-47(16-1-17-47)18-10-36(41)30-53-20-12-32(13-21-53)34-4-8-40(44(25-34)61-38-24-35-11-19-49-45(35)51-29-38)46(55)52-62(58,59)39-7-9-42(43(26-39)54(56)57)50-28-31-14-22-60-23-15-31/h2-9,11,19,24-26,29,31-32,50H,1,10,12-18,20-23,27-28,30H2,(H,49,51)(H,52,55)
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n/an/a 139n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM218796
PNG
(130D11 | Ac-λAQELR(Xi)IGD(Xi+4)FNAYYARR-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C109H167ClN32O29/c1-13-16-21-43-108(11,103(170)139-76(49-63-26-19-18-20-27-63)98(165)138-77(52-81(112)147)95(162)126-61(9)90(157)135-75(51-65-33-37-67(145)38-34-65)97(164)137-74(50-64-31-35-66(144)36-32-64)94(161)125-59(7)88(155)131-69(29-24-46-121-106(116)117)91(158)130-68(87(113)154)28-23-45-120-105(114)115)142-101(168)78(53-85(152)153)129-83(149)56-124-102(169)86(58(6)15-3)140-104(171)109(12,44-22-17-14-2)141-100(167)70(30-25-47-122-107(118)119)133-96(163)73(48-57(4)5)136-93(160)72(40-42-84(150)151)134-92(159)71(39-41-80(111)146)132-89(156)60(8)127-99(166)79(128-62(10)143)55-123-82(148)54-110/h13-14,18-20,26-27,31-38,57-61,68-79,86,144-145H,1-2,15-17,21-25,28-30,39-56H2,3-12H3,(H2,111,146)(H2,112,147)(H2,113,154)(H,123,148)(H,124,169)(H,125,161)(H,126,162)(H,127,166)(H,128,143)(H,129,149)(H,130,158)(H,131,155)(H,132,156)(H,133,163)(H,134,159)(H,135,157)(H,136,160)(H,137,164)(H,138,165)(H,139,170)(H,140,171)(H,141,167)(H,142,168)(H,150,151)(H,152,153)(H4,114,115,120)(H4,116,117,121)(H4,118,119,122)/t58-,59-,60-,61-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79?,86-,108-,109-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM85274
PNG
(BI-21C6)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c(c1)N(=O)=O
Show InChI InChI=1S/C20H12ClNO5S/c21-13-6-8-14(9-7-13)28-18-10-5-12(11-17(18)22(26)27)19(23)15-3-1-2-4-16(15)20(24)25/h1-11H,(H,24,25)
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Article
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n/an/a 500n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
In order to figure whether these compounds were capable of displacing the interactions between Bci-XL and it's pro-apoptotic counterparts, it was...


Bioorg Chem 35: 344-53 (2007)


Article DOI: 10.1016/j.bioorg.2007.03.001
BindingDB Entry DOI: 10.7270/Q2HT2MWD
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109231
PNG
(N-(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethy...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)S(=O)(=O)NC(=O)CCCCCc1ccccc1 |w:2.1|
Show InChI InChI=1S/C31H30N4O4S2/c1-22(33-34-31-32-26-16-8-9-17-29(26)40-31)27-19-20-28(39-27)24-14-10-15-25(21-24)41(37,38)35-30(36)18-7-3-6-13-23-11-4-2-5-12-23/h2,4-5,8-12,14-17,19-22H,3,6-7,13,18H2,1H3,(H,35,36)
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n/an/a 770n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM218791
PNG
(Ac-CATQLRRFGDKLN-NH2 | hNOXAs)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C66H111N23O19S/c1-32(2)25-43(87-59(103)41(20-21-48(68)92)84-64(108)52(35(6)90)89-54(98)34(5)78-63(107)47(31-109)79-36(7)91)60(104)83-39(18-13-23-75-65(71)72)56(100)81-40(19-14-24-76-66(73)74)58(102)88-45(27-37-15-9-8-10-16-37)55(99)77-30-50(94)80-46(29-51(95)96)62(106)82-38(17-11-12-22-67)57(101)86-44(26-33(3)4)61(105)85-42(53(70)97)28-49(69)93/h8-10,15-16,32-35,38-47,52,90,109H,11-14,17-31,67H2,1-7H3,(H2,68,92)(H2,69,93)(H2,70,97)(H,77,99)(H,78,107)(H,79,91)(H,80,94)(H,81,100)(H,82,106)(H,83,104)(H,84,108)(H,85,105)(H,86,101)(H,87,103)(H,88,102)(H,89,98)(H,95,96)(H4,71,72,75)(H4,73,74,76)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM218790
PNG
(λ_hNOXA | Ac-λATQLRRFGDKLNFRQKLLN-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C110H182ClN37O29/c1-55(2)43-72(143-98(168)70(35-37-82(115)152)139-107(177)88(60(10)149)148-90(160)59(9)130-106(176)80(131-61(11)150)53-128-85(155)52-111)99(169)136-66(31-22-40-125-108(119)120)92(162)134-68(33-24-42-127-110(123)124)96(166)145-76(47-62-25-14-12-15-26-62)91(161)129-54-86(156)132-79(51-87(157)158)105(175)135-65(30-19-21-39-113)95(165)142-75(46-58(7)8)102(172)147-78(50-84(117)154)104(174)146-77(48-63-27-16-13-17-28-63)103(173)137-67(32-23-41-126-109(121)122)93(163)138-69(34-36-81(114)151)97(167)133-64(29-18-20-38-112)94(164)141-74(45-57(5)6)101(171)144-73(44-56(3)4)100(170)140-71(89(118)159)49-83(116)153/h12-17,25-28,55-60,64-80,88,149H,18-24,29-54,112-113H2,1-11H3,(H2,114,151)(H2,115,152)(H2,116,153)(H2,117,154)(H2,118,159)(H,128,155)(H,129,161)(H,130,176)(H,131,150)(H,132,156)(H,133,167)(H,134,162)(H,135,175)(H,136,169)(H,137,173)(H,138,163)(H,139,177)(H,140,170)(H,141,164)(H,142,165)(H,143,168)(H,144,171)(H,145,166)(H,146,174)(H,147,172)(H,148,160)(H,157,158)(H4,119,120,125)(H4,121,122,126)(H4,123,124,127)/t59-,60+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80?,88-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM218789
PNG
(Ac-hCATQLRRFGDKLNFRQKLLN-NH2 | homo_hNOXA)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C109H182N36O28S/c1-55(2)45-73(140-98(165)70(35-37-82(113)149)136-106(173)87(60(10)146)145-89(156)59(9)127-91(158)71(38-44-174)128-61(11)147)99(166)133-66(31-22-41-123-107(117)118)92(159)131-68(33-24-43-125-109(121)122)96(163)142-77(49-62-25-14-12-15-26-62)90(157)126-54-85(152)129-80(53-86(153)154)105(172)132-65(30-19-21-40-111)95(162)139-76(48-58(7)8)102(169)144-79(52-84(115)151)104(171)143-78(50-63-27-16-13-17-28-63)103(170)134-67(32-23-42-124-108(119)120)93(160)135-69(34-36-81(112)148)97(164)130-64(29-18-20-39-110)94(161)138-75(47-57(5)6)101(168)141-74(46-56(3)4)100(167)137-72(88(116)155)51-83(114)150/h12-17,25-28,55-60,64-80,87,146,174H,18-24,29-54,110-111H2,1-11H3,(H2,112,148)(H2,113,149)(H2,114,150)(H2,115,151)(H2,116,155)(H,126,157)(H,127,158)(H,128,147)(H,129,152)(H,130,164)(H,131,159)(H,132,172)(H,133,166)(H,134,170)(H,135,160)(H,136,173)(H,137,167)(H,138,161)(H,139,162)(H,140,165)(H,141,168)(H,142,163)(H,143,171)(H,144,169)(H,145,156)(H,153,154)(H4,117,118,123)(H4,119,120,124)(H4,121,122,125)/t59-,60+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,87-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM218788
PNG
(Ac-CATQLRRFGDKLNFRQKLLN-NH2 | hNOXA)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C108H180N36O28S/c1-54(2)43-71(139-96(163)69(35-37-81(112)148)135-105(172)86(59(10)145)144-88(155)58(9)126-104(171)79(53-173)127-60(11)146)97(164)132-65(31-22-40-122-106(116)117)90(157)130-67(33-24-42-124-108(120)121)94(161)141-75(47-61-25-14-12-15-26-61)89(156)125-52-84(151)128-78(51-85(152)153)103(170)131-64(30-19-21-39-110)93(160)138-74(46-57(7)8)100(167)143-77(50-83(114)150)102(169)142-76(48-62-27-16-13-17-28-62)101(168)133-66(32-23-41-123-107(118)119)91(158)134-68(34-36-80(111)147)95(162)129-63(29-18-20-38-109)92(159)137-73(45-56(5)6)99(166)140-72(44-55(3)4)98(165)136-70(87(115)154)49-82(113)149/h12-17,25-28,54-59,63-79,86,145,173H,18-24,29-53,109-110H2,1-11H3,(H2,111,147)(H2,112,148)(H2,113,149)(H2,114,150)(H2,115,154)(H,125,156)(H,126,171)(H,127,146)(H,128,151)(H,129,162)(H,130,157)(H,131,170)(H,132,164)(H,133,168)(H,134,158)(H,135,172)(H,136,165)(H,137,159)(H,138,160)(H,139,163)(H,140,166)(H,141,161)(H,142,169)(H,143,167)(H,144,155)(H,152,153)(H4,116,117,122)(H4,118,119,123)(H4,120,121,124)/t58-,59+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,86-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM60828
PNG
(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM218792
PNG
(Ac-AELPPEFAAQLRKIGDKVYC-NH2 | NOXA A)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O |r|
Show InChI InChI=1S/C104H165N27O29S/c1-13-56(8)84(100(157)112-51-79(135)116-73(50-82(140)141)98(155)120-64(26-17-19-41-105)93(150)128-83(55(6)7)101(158)125-72(49-62-31-33-63(133)34-32-62)97(154)127-75(52-161)85(108)142)129-94(151)65(27-18-20-42-106)119-89(146)66(28-21-43-111-104(109)110)121-96(153)70(46-53(2)3)123-90(147)67(35-38-78(107)134)117-88(145)59(11)114-86(143)58(10)115-95(152)71(48-61-24-15-14-16-25-61)124-91(148)69(37-40-81(138)139)122-99(156)76-29-22-44-130(76)103(160)77-30-23-45-131(77)102(159)74(47-54(4)5)126-92(149)68(36-39-80(136)137)118-87(144)57(9)113-60(12)132/h14-16,24-25,31-34,53-59,64-77,83-84,133,161H,13,17-23,26-30,35-52,105-106H2,1-12H3,(H2,107,134)(H2,108,142)(H,112,157)(H,113,132)(H,114,143)(H,115,152)(H,116,135)(H,117,145)(H,118,144)(H,119,146)(H,120,155)(H,121,153)(H,122,156)(H,123,147)(H,124,148)(H,125,158)(H,126,149)(H,127,154)(H,128,150)(H,129,151)(H,136,137)(H,138,139)(H,140,141)(H4,109,110,111)/t56-,57-,58-,59-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-,84-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM218793
PNG
(Ac-PADLKDECAQLRRIGDKVNL-NH2 | NOXA B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C97H167N31O31S/c1-14-49(10)76(94(158)109-43-70(132)112-63(40-72(135)136)89(153)116-54(23-16-18-32-99)84(148)126-75(48(8)9)95(159)124-62(39-69(101)131)88(152)119-59(77(102)141)36-45(2)3)127-85(149)56(25-20-34-108-97(105)106)114-80(144)55(24-19-33-107-96(103)104)117-86(150)60(37-46(4)5)121-82(146)57(27-29-68(100)130)113-78(142)50(11)110-92(156)66(44-160)125-83(147)58(28-30-71(133)134)118-90(154)65(42-74(139)140)123-81(145)53(22-15-17-31-98)115-87(151)61(38-47(6)7)122-91(155)64(41-73(137)138)120-79(143)51(12)111-93(157)67-26-21-35-128(67)52(13)129/h45-51,53-67,75-76,160H,14-44,98-99H2,1-13H3,(H2,100,130)(H2,101,131)(H2,102,141)(H,109,158)(H,110,156)(H,111,157)(H,112,132)(H,113,142)(H,114,144)(H,115,151)(H,116,153)(H,117,150)(H,118,154)(H,119,152)(H,120,143)(H,121,146)(H,122,155)(H,123,145)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H4,103,104,107)(H4,105,106,108)/t49-,50-,51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,75-,76-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM50436643
PNG
(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:3.3|
Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)
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n/an/a 2.20E+3n/an/an/an/a7.425



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
Each 384-well plate was prepared with 4.75 µL of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein,...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM85272
PNG
(BI-21C4)
Show SMILES Cc1csc(NC(=O)c2ccccc2C(O)=O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C20H14N2O3S2/c1-11-10-26-18(16(11)19-21-14-8-4-5-9-15(14)27-19)22-17(23)12-6-2-3-7-13(12)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
In order to figure whether these compounds were capable of displacing the interactions between Bci-XL and it's pro-apoptotic counterparts, it was...


Bioorg Chem 35: 344-53 (2007)


Article DOI: 10.1016/j.bioorg.2007.03.001
BindingDB Entry DOI: 10.7270/Q2HT2MWD
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM85273
PNG
(BI-21C5)
Show SMILES Oc1ccccc1-c1cc(-c2ccc3OCOc3c2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C19H12N2O4/c20-9-14-13(11-5-6-17-18(7-11)25-10-24-17)8-15(21-19(14)23)12-3-1-2-4-16(12)22/h1-8,22H,10H2,(H,21,23)
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n/an/a 5.10E+3 1.98E+4n/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
In order to figure whether these compounds were capable of displacing the interactions between Bci-XL and it's pro-apoptotic counterparts, it was...


Bioorg Chem 35: 344-53 (2007)


Article DOI: 10.1016/j.bioorg.2007.03.001
BindingDB Entry DOI: 10.7270/Q2HT2MWD
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM85275
PNG
(BI-21C7)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(Sc2ccccc2)c(c1)N(=O)=O
Show InChI InChI=1S/C20H13NO5S/c22-19(15-8-4-5-9-16(15)20(23)24)13-10-11-18(17(12-13)21(25)26)27-14-6-2-1-3-7-14/h1-12H,(H,23,24)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
In order to figure whether these compounds were capable of displacing the interactions between Bci-XL and it's pro-apoptotic counterparts, it was...


Bioorg Chem 35: 344-53 (2007)


Article DOI: 10.1016/j.bioorg.2007.03.001
BindingDB Entry DOI: 10.7270/Q2HT2MWD
More data for this
Ligand-Target Pair