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Compile Data Set for Download or QSAR

Found 37 hits of ic50 data for polymerid = 5886   
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 2


(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<1n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-w

Bioorg Med Chem 20: 4194-200 (2012)


Article DOI: 10.1016/j.bmc.2012.05.079
BindingDB Entry DOI: 10.7270/Q24F1TMQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM333146
PNG
(Compound I | US10196404, Example 1 | US10196404, E...)
Show SMILES Cc1c-2c(CSCc3cc(CSc4cc(OCCCc5c(C(O)=O)n(C)c6c-2c(Cl)ccc56)c2ccccc2c4)n(C)n3)nn1C
Show InChI InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)
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n/an/a>20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127717
BindingDB Entry DOI: 10.7270/Q2MW2N34
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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 40n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay

J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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 66n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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 66n/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
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50270877
PNG
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6xHis-tagged Bcl-w (M1 to R171) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide a...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126682
BindingDB Entry DOI: 10.7270/Q2P84GCT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50339779
PNG
(CHEMBL1689141 | N-{7-[4-(4'-Chloro-biphenyl-2-ylme...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C44H45ClF3N7O4S3/c1-53(2)21-20-34(29-60-36-9-4-3-5-10-36)51-40-19-17-37(27-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-18-16-35(26-41(39)49-30-50-43)55-24-22-54(23-25-55)28-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-19,26-27,30,34,51H,20-25,28-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1
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n/an/a 245n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay

J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50339783
PNG
(CHEMBL1689145 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:51|
Show InChI InChI=1S/C46H53ClF3N7O4S3/c1-45(2)20-18-39(32-10-12-34(47)13-11-32)33(28-45)29-56-22-24-57(25-23-56)36-14-16-40-42(26-36)51-31-52-44(40)54-64(60,61)38-15-17-41(43(27-38)63(58,59)46(48,49)50)53-35(19-21-55(3)4)30-62-37-8-6-5-7-9-37/h5-17,26-27,31,35,53H,18-25,28-30H2,1-4H3,(H,51,52,54)/t35-/m1/s1
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n/an/a 275n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay

J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50339777
PNG
((R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)pipera...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C43H45ClN8O4S2/c1-49(2)21-20-34(29-57-36-9-4-3-5-10-36)47-40-19-17-37(27-42(40)52(53)54)58(55,56)48-43-39-18-16-35(26-41(39)45-30-46-43)51-24-22-50(23-25-51)28-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-19,26-27,30,34,47H,20-25,28-29H2,1-2H3,(H,45,46,48)/t34-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay

J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50339781
PNG
(CHEMBL1689143 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:47|
Show InChI InChI=1S/C45H53ClN8O4S2/c1-45(2)20-18-39(32-10-12-34(46)13-11-32)33(28-45)29-52-22-24-53(25-23-52)36-14-16-40-42(26-36)47-31-48-44(40)50-60(57,58)38-15-17-41(43(27-38)54(55)56)49-35(19-21-51(3)4)30-59-37-8-6-5-7-9-37/h5-17,26-27,31,35,49H,18-25,28-30H2,1-4H3,(H,47,48,50)/t35-/m1/s1
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n/an/a 540n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay

J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50339778
PNG
(CHEMBL1689140 | N-{7-[4-(4'-Chloro-biphenyl-2-ylme...)
Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C45H47ClN8O5S2/c46-35-12-10-33(11-13-35)40-9-5-4-6-34(40)30-52-20-22-53(23-21-52)37-14-16-41-43(28-37)47-32-48-45(41)50-61(57,58)39-15-17-42(44(29-39)54(55)56)49-36(18-19-51-24-26-59-27-25-51)31-60-38-7-2-1-3-8-38/h1-17,28-29,32,36,49H,18-27,30-31H2,(H,47,48,50)/t36-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay

J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50339776
PNG
(CHEMBL1689146 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)S(=O)(=O)C(F)(F)F)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
Show InChI InChI=1S/C48H55ClF3N7O5S3/c1-47(2)18-16-41(34-8-10-36(49)11-9-34)35(30-47)31-58-20-22-59(23-21-58)38-12-14-42-44(28-38)53-33-54-46(42)56-67(62,63)40-13-15-43(45(29-40)66(60,61)48(50,51)52)55-37(17-19-57-24-26-64-27-25-57)32-65-39-6-4-3-5-7-39/h3-15,28-29,33,37,55H,16-27,30-32H2,1-2H3,(H,53,54,56)/t37-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay

J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50339780
PNG
(CHEMBL1689142 | N-{7-[4-(4'-Chloro-biphenyl-2-ylme...)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C46H47ClF3N7O5S3/c47-35-12-10-33(11-13-35)40-9-5-4-6-34(40)30-56-20-22-57(23-21-56)37-14-16-41-43(28-37)51-32-52-45(41)54-65(60,61)39-15-17-42(44(29-39)64(58,59)46(48,49)50)53-36(18-19-55-24-26-62-27-25-55)31-63-38-7-2-1-3-8-38/h1-17,28-29,32,36,53H,18-27,30-31H2,(H,51,52,54)/t36-/m1/s1
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The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay

J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50529037
PNG
(CHEMBL4592905)
Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C33H33FN4O6S2/c34-27-12-10-25(11-13-27)24-6-8-26(9-7-24)33(39)36-46(42,43)30-14-15-31(32(22-30)38(40)41)35-28(16-17-37-18-20-44-21-19-37)23-45-29-4-2-1-3-5-29/h1-15,22,28,35H,16-21,23H2,(H,36,39)/t28-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6xHis-tagged Bcl-w (M1 to R171) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide a...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126682
BindingDB Entry DOI: 10.7270/Q2P84GCT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50339782
PNG
(CHEMBL1689144 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc3c(NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(c4)[N+]([O-])=O)ncnc3c2)C1)c1ccc(Cl)cc1 |r,t:5|
Show InChI InChI=1S/C47H55ClN8O5S2/c1-47(2)18-16-41(34-8-10-36(48)11-9-34)35(30-47)31-54-20-22-55(23-21-54)38-12-14-42-44(28-38)49-33-50-46(42)52-63(59,60)40-13-15-43(45(29-40)56(57)58)51-37(17-19-53-24-26-61-27-25-53)32-62-39-6-4-3-5-7-39/h3-15,28-29,33,37,51H,16-27,30-32H2,1-2H3,(H,49,50,52)/t37-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay

J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50366237
PNG
(GAMBOGIC ACID)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8][C@@]45[#6@H]6-[#6]-[#6@@H](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](=O)[C@]5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |r,c:22,33,TLB:22:21:18:42.43,THB:33:32:18:42.43,43:19:23.22:34.32|
Show InChI InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1
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n/an/a 2.02E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50529042
PNG
(CHEMBL4473013)
Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1S(F)(=O)=O |r|
Show InChI InChI=1S/C33H32F2N4O8S3/c34-25-10-12-29(32(20-25)49(35,43)44)23-6-8-24(9-7-23)33(40)37-50(45,46)28-11-13-30(31(21-28)39(41)42)36-26(14-15-38-16-18-47-19-17-38)22-48-27-4-2-1-3-5-27/h1-13,20-21,26,36H,14-19,22H2,(H,37,40)/t26-/m1/s1
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n/an/a 4.01E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6xHis-tagged Bcl-w (M1 to R171) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide a...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126682
BindingDB Entry DOI: 10.7270/Q2P84GCT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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 4.10E+3>550n/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
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50529035
PNG
(CHEMBL4474764)
Show SMILES CN(CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(-c2ccc(F)cc2)c(c1)S(F)(=O)=O)CC#C |r|
Show InChI InChI=1S/C34H30F5N3O7S4/c1-3-18-42(2)19-17-26(22-50-27-7-5-4-6-8-27)40-30-16-14-28(21-32(30)51(44,45)34(36,37)38)53(48,49)41-33(43)24-11-15-29(31(20-24)52(39,46)47)23-9-12-25(35)13-10-23/h1,4-16,20-21,26,40H,17-19,22H2,2H3,(H,41,43)/t26-/m1/s1
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n/an/a 4.37E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6xHis-tagged Bcl-w (M1 to R171) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide a...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126682
BindingDB Entry DOI: 10.7270/Q2P84GCT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50436628
PNG
(CHEMBL2398263)
Show SMILES OC(=O)c1cc(ccn1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
Show InChI InChI=1S/C23H18N4O2S/c28-22(29)20-13-16(10-11-24-20)15-9-8-14-4-3-6-18(17(14)12-15)26-27-23-25-19-5-1-2-7-21(19)30-23/h1-2,5,7-13H,3-4,6H2,(H,25,27)(H,28,29)
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n/an/a 5.00E+3n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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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The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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 5.30E+3n/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
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50181019
PNG
(1-(2-methoxyphenethyl)-5-butyl-4-(2-phenoxyphenyl)...)
Show SMILES CCCCc1c(ncn1CCc1ccccc1OC)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C28H30N2O2/c1-3-4-16-25-28(24-15-9-11-18-27(24)32-23-13-6-5-7-14-23)29-21-30(25)20-19-22-12-8-10-17-26(22)31-2/h5-15,17-18,21H,3-4,16,19-20H2,1-2H3
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n/an/a 8.09E+3n/an/an/an/an/an/a



ABC Pharma

Curated by ChEMBL


Assay Description
Inhibition of Bclw by FP assay

Bioorg Med Chem Lett 16: 1740-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.102
BindingDB Entry DOI: 10.7270/Q2BR8RR9
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50436648
PNG
(CHEMBL2398286)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cccc(n1)C(O)=O |w:3.3|
Show InChI InChI=1S/C21H16N4O2S/c1-13(24-25-21-23-17-8-2-3-11-19(17)28-21)14-6-4-7-15(12-14)16-9-5-10-18(22-16)20(26)27/h2-13H,1H3,(H,26,27)
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The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50436646
PNG
(CHEMBL2398249)
Show SMILES CCN1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O |w:6.6|
Show InChI InChI=1S/C24H21N5O2S/c1-2-29-13-12-18(27-28-24-26-19-6-3-4-9-22(19)32-24)16-14-15(10-11-21(16)29)17-7-5-8-20(25-17)23(30)31/h3-11,14H,2,12-13H2,1H3,(H,26,28)(H,30,31)
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The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50436645
PNG
(CHEMBL2398262)
Show SMILES OC(=O)c1ccnc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
Show InChI InChI=1S/C22H17N5O2S/c28-21(29)18-10-11-23-20(24-18)14-9-8-13-4-3-6-16(15(13)12-14)26-27-22-25-17-5-1-2-7-19(17)30-22/h1-2,5,7-12H,3-4,6H2,(H,25,27)(H,28,29)
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The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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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The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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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The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(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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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
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50436626
PNG
(CHEMBL2398170)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(s1)-c1cccc(n1)C(O)=O |w:3.3|
Show InChI InChI=1S/C19H14N4O2S2/c1-11(22-23-19-21-13-5-2-3-8-16(13)27-19)15-9-10-17(26-15)12-6-4-7-14(20-12)18(24)25/h2-11H,1H3,(H,24,25)
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The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50529034
PNG
(CHEMBL4584015)
Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)c(c1)S(F)(=O)=O |r|
Show InChI InChI=1S/C33H32F2N4O8S3/c34-29-12-10-25(20-32(29)49(35,43)44)23-6-8-24(9-7-23)33(40)37-50(45,46)28-11-13-30(31(21-28)39(41)42)36-26(14-15-38-16-18-47-19-17-38)22-48-27-4-2-1-3-5-27/h1-13,20-21,26,36H,14-19,22H2,(H,37,40)/t26-/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6xHis-tagged Bcl-w (M1 to R171) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide a...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126682
BindingDB Entry DOI: 10.7270/Q2P84GCT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50181020
PNG
(1-(2-methoxybenzyl)-4-(2-phenoxyphenyl)-5-propyl-1...)
Show SMILES CCCc1c(ncn1Cc1ccccc1OC)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C26H26N2O2/c1-3-11-23-26(27-19-28(23)18-20-12-7-9-16-24(20)29-2)22-15-8-10-17-25(22)30-21-13-5-4-6-14-21/h4-10,12-17,19H,3,11,18H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



ABC Pharma

Curated by ChEMBL


Assay Description
Inhibition of Bclw by FP assay

Bioorg Med Chem Lett 16: 1740-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.102
BindingDB Entry DOI: 10.7270/Q2BR8RR9
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50529040
PNG
(CHEMBL4529727)
Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(-c2ccc(F)cc2)c(c1)S(F)(=O)=O |r|
Show InChI InChI=1S/C33H32F2N4O8S3/c34-25-9-6-23(7-10-25)29-12-8-24(20-32(29)49(35,43)44)33(40)37-50(45,46)28-11-13-30(31(21-28)39(41)42)36-26(14-15-38-16-18-47-19-17-38)22-48-27-4-2-1-3-5-27/h1-13,20-21,26,36H,14-19,22H2,(H,37,40)/t26-/m1/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6xHis-tagged Bcl-w (M1 to R171) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide a...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126682
BindingDB Entry DOI: 10.7270/Q2P84GCT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50529036
PNG
(CHEMBL4560892)
Show SMILES OS(=O)(=O)c1cc(ccc1-c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C33H33FN4O9S3/c34-25-9-6-23(7-10-25)29-12-8-24(20-32(29)50(44,45)46)33(39)36-49(42,43)28-11-13-30(31(21-28)38(40)41)35-26(14-15-37-16-18-47-19-17-37)22-48-27-4-2-1-3-5-27/h1-13,20-21,26,35H,14-19,22H2,(H,36,39)(H,44,45,46)/t26-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6xHis-tagged Bcl-w (M1 to R171) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide a...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126682
BindingDB Entry DOI: 10.7270/Q2P84GCT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50181021
PNG
(1-biphenyl-3-ylmethyl-5-butyl-4-(2-methoxy-phenyl)...)
Show SMILES CCCCc1c(ncn1Cc1cccc(c1)-c1ccccc1)-c1ccccc1OC
Show InChI InChI=1S/C27H28N2O/c1-3-4-16-25-27(24-15-8-9-17-26(24)30-2)28-20-29(25)19-21-11-10-14-23(18-21)22-12-6-5-7-13-22/h5-15,17-18,20H,3-4,16,19H2,1-2H3
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n/an/a 2.69E+4n/an/an/an/an/an/a



ABC Pharma

Curated by ChEMBL


Assay Description
Inhibition of Bclw by FP assay

Bioorg Med Chem Lett 16: 1740-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.102
BindingDB Entry DOI: 10.7270/Q2BR8RR9
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50436627
PNG
(CHEMBL2398290)
Show SMILES Cc1c(cccc1-c1ccc(CN=Nc2nc3ccccc3s2)o1)C(O)=O |w:13.14|
Show InChI InChI=1S/C20H15N3O3S/c1-12-14(5-4-6-15(12)19(24)25)17-10-9-13(26-17)11-21-23-20-22-16-7-2-3-8-18(16)27-20/h2-10H,11H2,1H3,(H,24,25)
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n/an/a>3.30E+4n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-w (unknown origin) by luminescence proximity assay

J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 2


(Homo sapiens (Human))		BDBM50529039
PNG
(CHEMBL4446373)
Show SMILES CS(=O)(=O)c1cc(ccc1-c1ccc(F)cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C34H35FN4O8S3/c1-49(43,44)33-21-25(9-13-30(33)24-7-10-26(35)11-8-24)34(40)37-50(45,46)29-12-14-31(32(22-29)39(41)42)36-27(15-16-38-17-19-47-20-18-38)23-48-28-5-3-2-4-6-28/h2-14,21-22,27,36H,15-20,23H2,1H3,(H,37,40)/t27-/m1/s1
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n/an/a 5.91E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 6xHis-tagged Bcl-w (M1 to R171) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide a...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126682
BindingDB Entry DOI: 10.7270/Q2P84GCT
More data for this
Ligand-Target Pair