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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'grebinski' and Initial = 'jw'   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384358
PNG
(CHEMBL2031027 | US9346795, 92)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C41H45ClN6O5S/c1-4-6-20-46(21-7-5-2)41(51)38-37(42)27(3)48(44-38)36-19-17-31(39(49)45-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)47-26-32-15-11-10-13-29(32)22-33(47)25-43/h8-19,23-24,33H,4-7,20-22,25-26,43H2,1-3H3,(H,45,49)/t33-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384358
PNG
(CHEMBL2031027 | US9346795, 92)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C41H45ClN6O5S/c1-4-6-20-46(21-7-5-2)41(51)38-37(42)27(3)48(44-38)36-19-17-31(39(49)45-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)47-26-32-15-11-10-13-29(32)22-33(47)25-43/h8-19,23-24,33H,4-7,20-22,25-26,43H2,1-3H3,(H,45,49)/t33-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384355
PNG
(CHEMBL2031024 | US9346795, 91)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C41H44ClN5O6S/c1-4-6-20-45(21-7-5-2)41(51)38-37(42)27(3)47(43-38)36-19-17-31(39(49)44-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)46-25-32-15-11-10-13-29(32)22-33(46)26-48/h8-19,23-24,33,48H,4-7,20-22,25-26H2,1-3H3,(H,44,49)/t33-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384341
PNG
(CHEMBL2031029)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H51ClN6O6S/c1-4-6-20-50(21-7-5-2)45(55)42-41(46)31(3)52(47-42)40-19-17-35(43(53)48-59(56,57)38-18-16-32-12-8-9-14-34(32)27-38)28-39(40)44(54)51-29-36-15-11-10-13-33(36)26-37(51)30-49-22-24-58-25-23-49/h8-19,27-28,37H,4-7,20-26,29-30H2,1-3H3,(H,48,53)/t37-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384347
PNG
(CHEMBL2031016)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCc3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C48H48ClN5O8S/c1-4-6-24-52(25-7-5-2)47(57)44-43(49)31(3)54(50-44)41-22-20-36(27-40(41)46(56)53-26-23-33-11-8-9-12-37(33)29-53)45(55)51-63(60,61)38-21-19-34-13-10-14-42(39(34)28-38)62-30-32-15-17-35(18-16-32)48(58)59/h8-22,27-28H,4-7,23-26,29-30H2,1-3H3,(H,51,55)(H,58,59)
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384353
PNG
(CHEMBL2031022 | US9346795, 59)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C45H47Cl3N6O5S/c1-4-6-20-51(21-7-5-2)45(57)42-41(48)29(3)54(49-42)40-16-13-33(26-36(40)44(56)53-23-18-31-10-8-9-11-34(31)28-53)43(55)50-60(58,59)35-14-17-39-32(25-35)19-22-52(39)27-30-12-15-37(46)38(47)24-30/h8-17,24-26H,4-7,18-23,27-28H2,1-3H3,(H,50,55)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384341
PNG
(CHEMBL2031029)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H51ClN6O6S/c1-4-6-20-50(21-7-5-2)45(55)42-41(46)31(3)52(47-42)40-19-17-35(43(53)48-59(56,57)38-18-16-32-12-8-9-14-34(32)27-38)28-39(40)44(54)51-29-36-15-11-10-13-33(36)26-37(51)30-49-22-24-58-25-23-49/h8-19,27-28,37H,4-7,20-26,29-30H2,1-3H3,(H,48,53)/t37-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384347
PNG
(CHEMBL2031016)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCc3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C48H48ClN5O8S/c1-4-6-24-52(25-7-5-2)47(57)44-43(49)31(3)54(50-44)41-22-20-36(27-40(41)46(56)53-26-23-33-11-8-9-12-37(33)29-53)45(55)51-63(60,61)38-21-19-34-13-10-14-42(39(34)28-38)62-30-32-15-17-35(18-16-32)48(58)59/h8-22,27-28H,4-7,23-26,29-30H2,1-3H3,(H,51,55)(H,58,59)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384352
PNG
(CHEMBL2031021 | US9346795, 53)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CC)CCc2c1
Show InChI InChI=1S/C40H47ClN6O5S/c1-5-8-20-45(21-9-6-2)40(50)37-36(41)27(4)47(42-37)35-16-14-30(25-33(35)39(49)46-23-18-28-12-10-11-13-31(28)26-46)38(48)43-53(51,52)32-15-17-34-29(24-32)19-22-44(34)7-3/h10-17,24-25H,5-9,18-23,26H2,1-4H3,(H,43,48)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384360
PNG
(CHEMBL2031030)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H51ClN6O5S/c1-4-6-24-50(25-7-5-2)45(55)42-41(46)31(3)52(47-42)40-21-19-35(43(53)48-58(56,57)38-20-18-32-14-8-9-16-34(32)27-38)28-39(40)44(54)51-29-36-17-11-10-15-33(36)26-37(51)30-49-22-12-13-23-49/h8-11,14-21,27-28,37H,4-7,12-13,22-26,29-30H2,1-3H3,(H,48,53)/t37-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384359
PNG
(CHEMBL2031028)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(C)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C46H54ClN7O5S/c1-5-7-21-52(22-8-6-2)46(57)43-42(47)32(3)54(48-43)41-20-18-36(44(55)49-60(58,59)39-19-17-33-13-9-10-15-35(33)28-39)29-40(41)45(56)53-30-37-16-12-11-14-34(37)27-38(53)31-51-25-23-50(4)24-26-51/h9-20,28-29,38H,5-8,21-27,30-31H2,1-4H3,(H,49,55)/t38-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384356
PNG
(CHEMBL2031025 | US9346795, 105)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCCOC)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H52ClN5O7S/c1-5-7-22-49(23-8-6-2)45(54)42-41(46)31(3)51(47-42)40-21-19-35(43(52)48-59(55,56)38-20-18-32-14-9-10-16-34(32)27-38)28-39(40)44(53)50-29-36-17-12-11-15-33(36)26-37(50)30-58-25-13-24-57-4/h9-12,14-21,27-28,37H,5-8,13,22-26,29-30H2,1-4H3,(H,48,52)/t37-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384350
PNG
(CHEMBL2031019)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2NCCc2c1
Show InChI InChI=1S/C38H43ClN6O5S/c1-4-6-19-43(20-7-5-2)38(48)35-34(39)25(3)45(41-35)33-15-12-28(23-31(33)37(47)44-21-17-26-10-8-9-11-29(26)24-44)36(46)42-51(49,50)30-13-14-32-27(22-30)16-18-40-32/h8-15,22-23,40H,4-7,16-21,24H2,1-3H3,(H,42,46)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384344
PNG
(CHEMBL2031012 | US9346795, 1)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H42ClN5O5S/c1-4-6-21-44(22-7-5-2)40(49)37-36(41)27(3)46(42-37)35-19-17-31(25-34(35)39(48)45-23-20-29-13-9-11-15-32(29)26-45)38(47)43-52(50,51)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25H,4-7,20-23,26H2,1-3H3,(H,43,47)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384362
PNG
(CHEMBL2031032)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CNc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H41ClN6O5S/c1-4-6-20-44(21-7-5-2)39(49)36-35(40)26(3)46(42-36)34-19-17-29(23-32(34)38(48)45-24-30-14-10-11-15-33(30)41-25-45)37(47)43-52(50,51)31-18-16-27-12-8-9-13-28(27)22-31/h8-19,22-23,41H,4-7,20-21,24-25H2,1-3H3,(H,43,47)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384362
PNG
(CHEMBL2031032)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CNc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H41ClN6O5S/c1-4-6-20-44(21-7-5-2)39(49)36-35(40)26(3)46(42-36)34-19-17-29(23-32(34)38(48)45-24-30-14-10-11-15-33(30)41-25-45)37(47)43-52(50,51)31-18-16-27-12-8-9-13-28(27)22-31/h8-19,22-23,41H,4-7,20-21,24-25H2,1-3H3,(H,43,47)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384356
PNG
(CHEMBL2031025 | US9346795, 105)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCCOC)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H52ClN5O7S/c1-5-7-22-49(23-8-6-2)45(54)42-41(46)31(3)51(47-42)40-21-19-35(43(52)48-59(55,56)38-20-18-32-14-9-10-16-34(32)27-38)28-39(40)44(53)50-29-36-17-12-11-15-33(36)26-37(50)30-58-25-13-24-57-4/h9-12,14-21,27-28,37H,5-8,13,22-26,29-30H2,1-4H3,(H,48,52)/t37-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384344
PNG
(CHEMBL2031012 | US9346795, 1)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H42ClN5O5S/c1-4-6-21-44(22-7-5-2)40(49)37-36(41)27(3)46(42-37)35-19-17-31(25-34(35)39(48)45-23-20-29-13-9-11-15-32(29)26-45)38(47)43-52(50,51)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25H,4-7,20-23,26H2,1-3H3,(H,43,47)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384350
PNG
(CHEMBL2031019)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2NCCc2c1
Show InChI InChI=1S/C38H43ClN6O5S/c1-4-6-19-43(20-7-5-2)38(48)35-34(39)25(3)45(41-35)33-15-12-28(23-31(33)37(47)44-21-17-26-10-8-9-11-29(26)24-44)36(46)42-51(49,50)30-13-14-32-27(22-30)16-18-40-32/h8-15,22-23,40H,4-7,16-21,24H2,1-3H3,(H,42,46)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384355
PNG
(CHEMBL2031024 | US9346795, 91)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C41H44ClN5O6S/c1-4-6-20-45(21-7-5-2)41(51)38-37(42)27(3)47(43-38)36-19-17-31(39(49)44-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)46-25-32-15-11-10-13-29(32)22-33(46)26-48/h8-19,23-24,33,48H,4-7,20-22,25-26H2,1-3H3,(H,44,49)/t33-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384348
PNG
(CHEMBL2031017 | US9346795, 7)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384342
PNG
(CHEMBL2031010)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(cc1)C(=O)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H26Cl4F2N2O4S/c36-27-13-25(14-28(37)15-27)19-42(18-22-3-9-30(40)10-4-22)35(45)26-7-1-23(2-8-26)20-43(21-24-5-11-31(41)12-6-24)48(46,47)33-17-29(38)16-32(39)34(33)44/h1-17,44H,18-21H2
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384349
PNG
(CHEMBL2031018 | US9346795, 11)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384357
PNG
(CHEMBL2031026 | US9346795, 116)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCN(C)C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H53ClN6O6S/c1-6-8-22-50(23-9-7-2)45(55)42-41(46)31(3)52(47-42)40-21-19-35(43(53)48-59(56,57)38-20-18-32-14-10-11-16-34(32)27-38)28-39(40)44(54)51-29-36-17-13-12-15-33(36)26-37(51)30-58-25-24-49(4)5/h10-21,27-28,37H,6-9,22-26,29-30H2,1-5H3,(H,48,53)/t37-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384348
PNG
(CHEMBL2031017 | US9346795, 7)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384363
PNG
(CHEMBL2031014 | US9346795, 27)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1
Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-20-51(21-7-5-2)46(56)43-42(47)32(3)53(48-43)40-18-16-35(29-39(40)45(55)52-22-19-33-11-8-9-12-36(33)31-52)44(54)49-61(57,58)37-17-15-34-13-10-14-41(38(34)30-37)60-28-25-50-23-26-59-27-24-50/h8-18,29-30H,4-7,19-28,31H2,1-3H3,(H,49,54)
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n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384353
PNG
(CHEMBL2031022 | US9346795, 59)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C45H47Cl3N6O5S/c1-4-6-20-51(21-7-5-2)45(57)42-41(48)29(3)54(49-42)40-16-13-33(26-36(40)44(56)53-23-18-31-10-8-9-11-34(31)28-53)43(55)50-60(58,59)35-14-17-39-32(25-35)19-22-52(39)27-30-12-15-37(46)38(47)24-30/h8-17,24-26H,4-7,18-23,27-28H2,1-3H3,(H,50,55)
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384360
PNG
(CHEMBL2031030)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCCC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H51ClN6O5S/c1-4-6-24-50(25-7-5-2)45(55)42-41(46)31(3)52(47-42)40-21-19-35(43(53)48-58(56,57)38-20-18-32-14-8-9-16-34(32)27-38)28-39(40)44(54)51-29-36-17-11-10-15-33(36)26-37(51)30-49-22-12-13-23-49/h8-11,14-21,27-28,37H,4-7,12-13,22-26,29-30H2,1-3H3,(H,48,53)/t37-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384357
PNG
(CHEMBL2031026 | US9346795, 116)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCN(C)C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H53ClN6O6S/c1-6-8-22-50(23-9-7-2)45(55)42-41(46)31(3)52(47-42)40-21-19-35(43(53)48-59(56,57)38-20-18-32-14-10-11-16-34(32)27-38)28-39(40)44(54)51-29-36-17-13-12-15-33(36)26-37(51)30-58-25-24-49(4)5/h10-21,27-28,37H,6-9,22-26,29-30H2,1-5H3,(H,48,53)/t37-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384349
PNG
(CHEMBL2031018 | US9346795, 11)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)
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n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384346
PNG
(CHEMBL2031015)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCN3CCOCC3)cc2c1
Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-19-51(20-7-5-2)46(56)43-42(47)32(3)53(48-43)41-17-14-35(30-40(41)45(55)52-21-18-33-10-8-9-11-36(33)31-52)44(54)49-61(57,58)39-16-13-34-12-15-38(28-37(34)29-39)60-27-24-50-22-25-59-26-23-50/h8-17,28-30H,4-7,18-27,31H2,1-3H3,(H,49,54)
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n/an/a 54n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384361
PNG
(CHEMBL2031031 | US9346795, 96)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1COc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H40ClN5O6S/c1-4-6-20-43(21-7-5-2)39(48)36-35(40)26(3)45(41-36)33-19-17-29(23-32(33)38(47)44-24-30-14-10-11-15-34(30)51-25-44)37(46)42-52(49,50)31-18-16-27-12-8-9-13-28(27)22-31/h8-19,22-23H,4-7,20-21,24-25H2,1-3H3,(H,42,46)
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n/an/a 62n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384352
PNG
(CHEMBL2031021 | US9346795, 53)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CC)CCc2c1
Show InChI InChI=1S/C40H47ClN6O5S/c1-5-8-20-45(21-9-6-2)40(50)37-36(41)27(4)47(42-37)35-16-14-30(25-33(35)39(49)46-23-18-28-12-10-11-13-31(28)26-46)38(48)43-53(51,52)32-15-17-34-29(24-32)19-22-44(34)7-3/h10-17,24-25H,5-9,18-23,26H2,1-4H3,(H,43,48)
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n/an/a 78n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384363
PNG
(CHEMBL2031014 | US9346795, 27)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1
Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-20-51(21-7-5-2)46(56)43-42(47)32(3)53(48-43)40-18-16-35(29-39(40)45(55)52-22-19-33-11-8-9-12-36(33)31-52)44(54)49-61(57,58)37-17-15-34-13-10-14-41(38(34)30-37)60-28-25-50-23-26-59-27-24-50/h8-18,29-30H,4-7,19-28,31H2,1-3H3,(H,49,54)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384361
PNG
(CHEMBL2031031 | US9346795, 96)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1COc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H40ClN5O6S/c1-4-6-20-43(21-7-5-2)39(48)36-35(40)26(3)45(41-36)33-19-17-29(23-32(33)38(47)44-24-30-14-10-11-15-34(30)51-25-44)37(46)42-52(49,50)31-18-16-27-12-8-9-13-28(27)22-31/h8-19,22-23H,4-7,20-21,24-25H2,1-3H3,(H,42,46)
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384359
PNG
(CHEMBL2031028)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(C)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C46H54ClN7O5S/c1-5-7-21-52(22-8-6-2)46(57)43-42(47)32(3)54(48-43)41-20-18-36(44(55)49-60(58,59)39-19-17-33-13-9-10-15-35(33)28-39)29-40(41)45(56)53-30-37-16-12-11-14-34(37)27-38(53)31-51-25-23-50(4)24-26-51/h9-20,28-29,38H,5-8,21-27,30-31H2,1-4H3,(H,49,55)/t38-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384345
PNG
(CHEMBL2031013)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(c2c1)S(=O)(=O)CC
Show InChI InChI=1S/C42H46ClN5O7S2/c1-5-8-22-46(23-9-6-2)42(51)39-38(43)28(4)48(44-39)36-20-18-31(25-35(36)41(50)47-24-21-29-13-10-11-14-32(29)27-47)40(49)45-57(54,55)33-19-17-30-15-12-16-37(34(30)26-33)56(52,53)7-3/h10-20,25-26H,5-9,21-24,27H2,1-4H3,(H,45,49)
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384345
PNG
(CHEMBL2031013)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(c2c1)S(=O)(=O)CC
Show InChI InChI=1S/C42H46ClN5O7S2/c1-5-8-22-46(23-9-6-2)42(51)39-38(43)28(4)48(44-39)36-20-18-31(25-35(36)41(50)47-24-21-29-13-10-11-14-32(29)27-47)40(49)45-57(54,55)33-19-17-30-15-12-16-37(34(30)26-33)56(52,53)7-3/h10-20,25-26H,5-9,21-24,27H2,1-4H3,(H,45,49)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384351
PNG
(CHEMBL2031020)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C45H45Cl3N6O6S/c1-4-6-20-51(21-7-5-2)45(58)41-40(48)28(3)54(49-41)39-16-13-31(25-35(39)44(57)52-22-18-29-10-8-9-11-33(29)27-52)42(55)50-61(59,60)34-14-17-38-30(24-34)19-23-53(38)43(56)32-12-15-36(46)37(47)26-32/h8-17,24-26H,4-7,18-23,27H2,1-3H3,(H,50,55)
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384346
PNG
(CHEMBL2031015)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCN3CCOCC3)cc2c1
Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-19-51(20-7-5-2)46(56)43-42(47)32(3)53(48-43)41-17-14-35(30-40(41)45(55)52-21-18-33-10-8-9-11-36(33)31-52)44(54)49-61(57,58)39-16-13-34-12-15-38(28-37(34)29-39)60-27-24-50-22-25-59-26-23-50/h8-17,28-30H,4-7,18-27,31H2,1-3H3,(H,49,54)
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384351
PNG
(CHEMBL2031020)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C45H45Cl3N6O6S/c1-4-6-20-51(21-7-5-2)45(58)41-40(48)28(3)54(49-41)39-16-13-31(25-35(39)44(57)52-22-18-29-10-8-9-11-33(29)27-52)42(55)50-61(59,60)34-14-17-38-30(24-34)19-23-53(38)43(56)32-12-15-36(46)37(47)26-32/h8-17,24-26H,4-7,18-23,27H2,1-3H3,(H,50,55)
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n/an/a 550n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384354
PNG
(CHEMBL2031023)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H44ClN5O5S/c1-5-7-22-45(23-8-6-2)41(50)38-37(42)28(4)47(43-38)36-20-18-32(26-35(36)40(49)46-24-21-30-14-11-12-16-34(30)27(46)3)39(48)44-53(51,52)33-19-17-29-13-9-10-15-31(29)25-33/h9-20,25-27H,5-8,21-24H2,1-4H3,(H,44,48)
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n/an/a 590n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384354
PNG
(CHEMBL2031023)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H44ClN5O5S/c1-5-7-22-45(23-8-6-2)41(50)38-37(42)28(4)47(43-38)36-20-18-32(26-35(36)40(49)46-24-21-30-14-11-12-16-34(30)27(46)3)39(48)44-53(51,52)33-19-17-29-13-9-10-15-31(29)25-33/h9-20,25-27H,5-8,21-24H2,1-4H3,(H,44,48)
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n/an/a 710n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384343
PNG
(CHEMBL2031011)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C35H38Cl3N5O5S/c1-4-6-15-41(16-7-5-2)35(46)32-31(38)22(3)43(39-32)29-13-12-26(40-49(47,48)30-19-25(36)18-28(37)33(30)44)20-27(29)34(45)42-17-14-23-10-8-9-11-24(23)21-42/h8-13,18-20,40,44H,4-7,14-17,21H2,1-3H3
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n/an/a 910n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384343
PNG
(CHEMBL2031011)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C35H38Cl3N5O5S/c1-4-6-15-41(16-7-5-2)35(46)32-31(38)22(3)43(39-32)29-13-12-26(40-49(47,48)30-19-25(36)18-28(37)33(30)44)20-27(29)34(45)42-17-14-23-10-8-9-11-24(23)21-42/h8-13,18-20,40,44H,4-7,14-17,21H2,1-3H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50384342
PNG
(CHEMBL2031010)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(cc1)C(=O)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C35H26Cl4F2N2O4S/c36-27-13-25(14-28(37)15-27)19-42(18-22-3-9-30(40)10-4-22)35(45)26-7-1-23(2-8-26)20-43(21-24-5-11-31(41)12-6-24)48(46,47)33-17-29(38)16-32(39)34(33)44/h1-17,44H,18-21H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair