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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'fairlie' and Initial = 'wd'   
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 (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
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 0.5n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(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
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 3n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive 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 1


(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
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 3n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive 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 1


(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
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 3n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive 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
Apoptosis regulator Bcl-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
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 5n/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-2 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 1


(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
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 6n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive 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 1


(Homo sapiens (Human))
BDBM50436680
PNG
(CHEMBL2398255)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2NCCC(=NNc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C22H17N5O2S/c28-21(29)19-6-3-5-15(24-19)13-8-9-16-14(12-13)17(10-11-23-16)26-27-22-25-18-4-1-2-7-20(18)30-22/h1-9,12,23H,10-11H2,(H,25,27)(H,28,29)
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n/an/a 6n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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
Apoptosis regulator Bcl-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
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 6.10n/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-2 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 1


(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
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 7n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive 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
Apoptosis regulator Bcl-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
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 7n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (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
Apoptosis regulator Bcl-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
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 8.70n/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-2 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 1


(Homo sapiens (Human))
BDBM50436679
PNG
(CHEMBL2398250)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2CCCCC(=NNc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C24H20N4O2S/c29-23(30)21-10-5-9-18(25-21)16-13-12-15-6-1-2-7-19(17(15)14-16)27-28-24-26-20-8-3-4-11-22(20)31-24/h3-5,8-14H,1-2,6-7H2,(H,26,28)(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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
Apoptosis regulator Bcl-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
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 12n/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-2 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
Apoptosis regulator Bcl-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
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 13n/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-2 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 1


(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
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/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436678
PNG
(CHEMBL2398254)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2SCCC(=NNc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C22H16N4O2S2/c27-21(28)18-6-3-5-15(23-18)13-8-9-19-14(12-13)16(10-11-29-19)25-26-22-24-17-4-1-2-7-20(17)30-22/h1-9,12H,10-11H2,(H,24,26)(H,27,28)
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n/an/a 14n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(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
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/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(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
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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n/an/a 16n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive 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 1


(Homo sapiens (Human))
BDBM50436677
PNG
(CHEMBL2398252)
Show SMILES CC1CC(=NNc2nc3ccccc3s2)c2cc(ccc2C1)-c1cccc(n1)C(O)=O
Show InChI InChI=1S/C24H20N4O2S/c1-14-11-15-9-10-16(18-6-4-7-20(25-18)23(29)30)13-17(15)21(12-14)27-28-24-26-19-5-2-3-8-22(19)31-24/h2-10,13-14H,11-12H2,1H3,(H,26,28)(H,29,30)
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n/an/a 17n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(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
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 20n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive 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 1


(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
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/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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
Apoptosis regulator Bcl-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
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 21n/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-2 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
Apoptosis regulator Bcl-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
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 21n/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-2 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 1


(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
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/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(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
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/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(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
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 29n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive 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 1


(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
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 34n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive 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-W


(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
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 1


(Homo sapiens (Human))
BDBM50436628
PNG
(CHEMBL2398263)
Show SMILES OC(=O)c1cc(ccn1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1
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 41n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436676
PNG
(CHEMBL2398257)
Show SMILES CC1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O
Show InChI InChI=1S/C24H20N4O2S/c1-14-9-12-19(27-28-24-26-20-5-2-3-8-22(20)31-24)17-13-15(10-11-16(14)17)18-6-4-7-21(25-18)23(29)30/h2-8,10-11,13-14H,9,12H2,1H3,(H,26,28)(H,29,30)
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n/an/a 47n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436646
PNG
(CHEMBL2398249)
Show SMILES CCN1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O
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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n/an/a 49n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436675
PNG
(CHEMBL2398258)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2c(c1)C(CCS2=O)=NNc1nc2ccccc2s1
Show InChI InChI=1S/C22H16N4O3S2/c27-21(28)18-6-3-5-15(23-18)13-8-9-20-14(12-13)16(10-11-31(20)29)25-26-22-24-17-4-1-2-7-19(17)30-22/h1-9,12H,10-11H2,(H,24,26)(H,27,28)
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n/an/a 51n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436674
PNG
(CHEMBL2398253)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2OCCC(=NNc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C22H16N4O3S/c27-21(28)18-6-3-5-15(23-18)13-8-9-19-14(12-13)16(10-11-29-19)25-26-22-24-17-4-1-2-7-20(17)30-22/h1-9,12H,10-11H2,(H,24,26)(H,27,28)
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n/an/a 55n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436628
PNG
(CHEMBL2398263)
Show SMILES OC(=O)c1cc(ccn1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1
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 60n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436673
PNG
(CHEMBL2398261)
Show SMILES OC(=O)c1coc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C21H16N4O3S/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 60n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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-W


(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
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 1


(Homo sapiens (Human))
BDBM50436645
PNG
(CHEMBL2398262)
Show SMILES OC(=O)c1ccnc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1
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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n/an/a 77n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436672
PNG
(CHEMBL2398259)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2c(c1)C(CCS2(=O)=O)=NNc1nc2ccccc2s1
Show InChI InChI=1S/C22H16N4O4S2/c27-21(28)18-6-3-5-15(23-18)13-8-9-20-14(12-13)16(10-11-32(20,29)30)25-26-22-24-17-4-1-2-7-19(17)31-22/h1-9,12H,10-11H2,(H,24,26)(H,27,28)
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n/an/a 78n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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
Apoptosis regulator Bcl-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
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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n/an/a 81n/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-2 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
Apoptosis regulator Bcl-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
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 84n/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-2 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 1


(Homo sapiens (Human))
BDBM50436646
PNG
(CHEMBL2398249)
Show SMILES CCN1CCC(=NNc2nc3ccccc3s2)c2cc(ccc12)-c1cccc(n1)C(O)=O
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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n/an/a 88n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436671
PNG
(CHEMBL2398256)
Show SMILES CC1(C)CC(=NNc2nc3ccccc3s2)c2cc(ccc2O1)-c1cccc(n1)C(O)=O
Show InChI InChI=1S/C24H20N4O3S/c1-24(2)13-19(27-28-23-26-17-6-3-4-9-21(17)32-23)15-12-14(10-11-20(15)31-24)16-7-5-8-18(25-16)22(29)30/h3-12H,13H2,1-2H3,(H,26,28)(H,29,30)
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n/an/a 100n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436648
PNG
(CHEMBL2398286)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cccc(n1)C(O)=O
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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n/an/a 120n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436670
PNG
(CHEMBL2398172)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2CCC(=NNc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C22H16N4O2S/c27-21(28)19-6-3-5-16(23-19)14-9-8-13-10-11-17(15(13)12-14)25-26-22-24-18-4-1-2-7-20(18)29-22/h1-9,12H,10-11H2,(H,24,26)(H,27,28)
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n/an/a 130n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436648
PNG
(CHEMBL2398286)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cccc(n1)C(O)=O
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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n/an/a 140n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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 1


(Homo sapiens (Human))
BDBM50436669
PNG
(CHEMBL2398289)
Show SMILES [O-][N+](=O)c1cc(ccc1N[C@@H](CSc1ccccc1)CC(=O)N1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H31FN4O7S2/c34-26-12-10-24(11-13-26)23-6-8-25(9-7-23)33(40)36-47(43,44)29-14-15-30(31(21-29)38(41)42)35-27(22-46-28-4-2-1-3-5-28)20-32(39)37-16-18-45-19-17-37/h1-15,21,27,35H,16-20,22H2,(H,36,40)/t27-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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-W


(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
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 1


(Homo sapiens (Human))
BDBM50436668
PNG
(CHEMBL2398251)
Show SMILES CC1CCc2ccc(cc2C1=NNc1nc2ccccc2s1)-c1cccc(n1)C(O)=O
Show InChI InChI=1S/C24H20N4O2S/c1-14-9-10-15-11-12-16(18-6-4-7-20(25-18)23(29)30)13-17(15)22(14)27-28-24-26-19-5-2-3-8-21(19)31-24/h2-8,11-14H,9-10H2,1H3,(H,26,28)(H,29,30)
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n/an/a 260n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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-W


(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
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 1


(Homo sapiens (Human))
BDBM50436645
PNG
(CHEMBL2398262)
Show SMILES OC(=O)c1ccnc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1
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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n/an/a 340n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl 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
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