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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50007561   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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180n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510553
PNG
(CHEMBL4482922)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(C)c4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C42H36Cl2N4O9S/c1-25-5-4-6-28(19-25)24-57-31-13-7-27(8-14-31)20-37(41(50)46-58(54,55)33-16-17-36(44)39(22-33)48(52)53)45-40(49)23-34-26(2)47(38-18-15-32(56-3)21-35(34)38)42(51)29-9-11-30(43)12-10-29/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,45,49)(H,46,50)/t37-/m0/s1
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430n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510545
PNG
(CHEMBL4439398)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(Br)cc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C41H33BrCl2N4O9S/c1-24-33(34-20-31(56-2)15-18-37(34)47(24)41(51)27-7-11-29(43)12-8-27)22-39(49)45-36(40(50)46-58(54,55)32-16-17-35(44)38(21-32)48(52)53)19-25-5-13-30(14-6-25)57-23-26-3-9-28(42)10-4-26/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,45,49)(H,46,50)/t36-/m0/s1
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440n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50510545
PNG
(CHEMBL4439398)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(Br)cc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C41H33BrCl2N4O9S/c1-24-33(34-20-31(56-2)15-18-37(34)47(24)41(51)27-7-11-29(43)12-8-27)22-39(49)45-36(40(50)46-58(54,55)32-16-17-35(44)38(21-32)48(52)53)19-25-5-13-30(14-6-25)57-23-26-3-9-28(42)10-4-26/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,45,49)(H,46,50)/t36-/m0/s1
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440n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510559
PNG
(CHEMBL4544703)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(c4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)14-17-38(35)48(25)42(52)29-8-10-30(43)11-9-29)22-40(50)46-37(41(51)47-59(55,56)33-15-16-36(44)39(21-33)49(53)54)19-26-6-12-31(13-7-26)58-24-28-5-3-4-27(18-28)23-45/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1
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440n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510555
PNG
(CHEMBL4515351)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C41H33BrCl2N4O9S/c1-24-32(33-20-30(56-2)15-18-37(33)47(24)41(51)26-9-11-28(43)12-10-26)22-39(49)45-36(40(50)46-58(54,55)31-16-17-35(44)38(21-31)48(52)53)19-25-7-13-29(14-8-25)57-23-27-5-3-4-6-34(27)42/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,45,49)(H,46,50)/t36-/m0/s1
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450n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510544
PNG
(CHEMBL4439691)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)15-18-38(35)48(25)42(52)29-9-11-30(43)12-10-29)22-40(50)46-37(41(51)47-59(55,56)33-16-17-36(44)39(21-33)49(53)54)19-26-7-13-31(14-8-26)58-24-28-5-3-27(23-45)4-6-28/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1
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470n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510554
PNG
(CHEMBL4528136)
Show SMILES COc1cccc(COc2ccc(C[C@H](NC(=O)Cc3c(C)n(C(=O)c4ccc(Cl)cc4)c4ccc(OC)cc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)c1 |r|
Show InChI InChI=1S/C42H36Cl2N4O10S/c1-25-34(35-21-32(57-3)15-18-38(35)47(25)42(51)28-9-11-29(43)12-10-28)23-40(49)45-37(41(50)46-59(54,55)33-16-17-36(44)39(22-33)48(52)53)20-26-7-13-30(14-8-26)58-24-27-5-4-6-31(19-27)56-2/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,45,49)(H,46,50)/t37-/m0/s1
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480n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50510559
PNG
(CHEMBL4544703)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(c4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)14-17-38(35)48(25)42(52)29-8-10-30(43)11-9-29)22-40(50)46-37(41(51)47-59(55,56)33-15-16-36(44)39(21-33)49(53)54)19-26-6-12-31(13-7-26)58-24-28-5-3-4-27(18-28)23-45/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1
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480n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50510553
PNG
(CHEMBL4482922)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc(C)c4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C42H36Cl2N4O9S/c1-25-5-4-6-28(19-25)24-57-31-13-7-27(8-14-31)20-37(41(50)46-58(54,55)33-16-17-36(44)39(22-33)48(52)53)45-40(49)23-34-26(2)47(38-18-15-32(56-3)21-35(34)38)42(51)29-9-11-30(43)12-10-29/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,45,49)(H,46,50)/t37-/m0/s1
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490n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510566
PNG
(CHEMBL4457071)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)[N+]([O-])=O)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C41H33Cl2N5O11S/c1-24-33(34-20-31(58-2)15-18-37(34)46(24)41(51)27-7-9-28(42)10-8-27)22-39(49)44-36(40(50)45-60(56,57)32-16-17-35(43)38(21-32)48(54)55)19-25-5-13-30(14-6-25)59-23-26-3-11-29(12-4-26)47(52)53/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,44,49)(H,45,50)/t36-/m0/s1
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510n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50510555
PNG
(CHEMBL4515351)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C41H33BrCl2N4O9S/c1-24-32(33-20-30(56-2)15-18-37(33)47(24)41(51)26-9-11-28(43)12-10-26)22-39(49)45-36(40(50)46-58(54,55)31-16-17-35(44)38(21-31)48(52)53)19-25-7-13-29(14-8-25)57-23-27-5-3-4-6-34(27)42/h3-18,20-21,36H,19,22-23H2,1-2H3,(H,45,49)(H,46,50)/t36-/m0/s1
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520n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510562
PNG
(CHEMBL4518971)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C41H34Cl2N4O9S/c1-25-33(34-21-31(55-2)16-19-37(34)46(25)41(50)28-10-12-29(42)13-11-28)23-39(48)44-36(20-26-8-14-30(15-9-26)56-24-27-6-4-3-5-7-27)40(49)45-57(53,54)32-17-18-35(43)38(22-32)47(51)52/h3-19,21-22,36H,20,23-24H2,1-2H3,(H,44,48)(H,45,49)/t36-/m0/s1
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520n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50510544
PNG
(CHEMBL4439691)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)15-18-38(35)48(25)42(52)29-9-11-30(43)12-10-29)22-40(50)46-37(41(51)47-59(55,56)33-16-17-36(44)39(21-33)49(53)54)19-26-7-13-31(14-8-26)58-24-28-5-3-27(23-45)4-6-28/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1
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530n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510560
PNG
(CHEMBL4528001)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)NS(=O)(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C41H35BrClN3O7S/c1-26-35(36-23-33(52-2)18-21-38(36)46(26)41(49)29-10-14-31(43)15-11-29)24-39(47)44-37(40(48)45-54(50,51)34-19-12-30(42)13-20-34)22-27-8-16-32(17-9-27)53-25-28-6-4-3-5-7-28/h3-21,23,37H,22,24-25H2,1-2H3,(H,44,47)(H,45,48)/t37-/m0/s1
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530n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510558
PNG
(CHEMBL4474774)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4cccc5ccccc45)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C45H36Cl2N4O9S/c1-27-37(38-23-34(59-2)18-21-41(38)50(27)45(54)30-12-14-32(46)15-13-30)25-43(52)48-40(44(53)49-61(57,58)35-19-20-39(47)42(24-35)51(55)56)22-28-10-16-33(17-11-28)60-26-31-8-5-7-29-6-3-4-9-36(29)31/h3-21,23-24,40H,22,25-26H2,1-2H3,(H,48,52)(H,49,53)/t40-/m0/s1
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560n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510565
PNG
(CHEMBL4441493)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(C)cc4)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C42H36Cl2N4O9S/c1-25-4-6-28(7-5-25)24-57-31-14-8-27(9-15-31)20-37(41(50)46-58(54,55)33-17-18-36(44)39(22-33)48(52)53)45-40(49)23-34-26(2)47(38-19-16-32(56-3)21-35(34)38)42(51)29-10-12-30(43)13-11-29/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,45,49)(H,46,50)/t37-/m0/s1
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560n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510549
PNG
(CHEMBL4549139)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C34H27BrCl2N4O8S/c1-19-26(27-16-24(49-2)11-14-30(27)40(19)34(44)21-5-9-23(36)10-6-21)18-32(42)38-29(15-20-3-7-22(35)8-4-20)33(43)39-50(47,48)25-12-13-28(37)31(17-25)41(45)46/h3-14,16-17,29H,15,18H2,1-2H3,(H,38,42)(H,39,43)/t29-/m0/s1
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590n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510557
PNG
(CHEMBL4464658)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccc(cc4)[N+]([O-])=O)cc3)C(=O)NS(=O)(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C41H34BrClN4O9S/c1-25-35(36-22-33(55-2)17-20-38(36)46(25)41(50)28-7-11-30(43)12-8-28)23-39(48)44-37(40(49)45-57(53,54)34-18-9-29(42)10-19-34)21-26-5-15-32(16-6-26)56-24-27-3-13-31(14-4-27)47(51)52/h3-20,22,37H,21,23-24H2,1-2H3,(H,44,48)(H,45,49)/t37-/m0/s1
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630n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510556
PNG
(CHEMBL4539624)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4C#N)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C42H33Cl2N5O9S/c1-25-34(35-20-32(57-2)15-18-38(35)48(25)42(52)27-9-11-30(43)12-10-27)22-40(50)46-37(41(51)47-59(55,56)33-16-17-36(44)39(21-33)49(53)54)19-26-7-13-31(14-8-26)58-24-29-6-4-3-5-28(29)23-45/h3-18,20-21,37H,19,22,24H2,1-2H3,(H,46,50)(H,47,51)/t37-/m0/s1
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670n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50067354
PNG
(CHEMBL3401826)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50067354
PNG
(CHEMBL3401826)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510552
PNG
(CHEMBL4445807)
Show SMILES CCCOc1ccc(C[C@H](NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C37H34Cl2N4O9S/c1-4-17-52-26-11-5-23(6-12-26)18-32(36(45)41-53(49,50)28-14-15-31(39)34(20-28)43(47)48)40-35(44)21-29-22(2)42(33-16-13-27(51-3)19-30(29)33)37(46)24-7-9-25(38)10-8-24/h5-16,19-20,32H,4,17-18,21H2,1-3H3,(H,40,44)(H,41,45)/t32-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50067354
PNG
(CHEMBL3401826)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C32H26N2O4S3/c1-22-12-18-27(19-13-22)41(37,38)33-30(35)28(20-23-8-4-2-5-9-23)34-31(36)29(40-32(34)39)21-24-14-16-26(17-15-24)25-10-6-3-7-11-25/h2-19,21,28H,20H2,1H3,(H,33,35)/b29-21-/t28-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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2.90E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510561
PNG
(CHEMBL4437848)
Show SMILES CCC(C)[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C31H30Cl2N4O8S/c1-5-17(2)29(30(39)35-46(43,44)22-11-12-25(33)27(15-22)37(41)42)34-28(38)16-23-18(3)36(26-13-10-21(45-4)14-24(23)26)31(40)19-6-8-20(32)9-7-19/h6-15,17,29H,5,16H2,1-4H3,(H,34,38)(H,35,39)/t17?,29-/m0/s1
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4.90E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510564
PNG
(CHEMBL4474182)
Show SMILES COc1ccc(C[C@H](NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C35H30Cl2N4O9S/c1-20-27(28-17-25(50-3)12-15-31(28)40(20)35(44)22-6-8-23(36)9-7-22)19-33(42)38-30(16-21-4-10-24(49-2)11-5-21)34(43)39-51(47,48)26-13-14-29(37)32(18-26)41(45)46/h4-15,17-18,30H,16,19H2,1-3H3,(H,38,42)(H,39,43)/t30-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510563
PNG
(CHEMBL4533879)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C34H28Cl2N4O8S/c1-20-26(27-17-24(48-2)12-15-30(27)39(20)34(43)22-8-10-23(35)11-9-22)19-32(41)37-29(16-21-6-4-3-5-7-21)33(42)38-49(46,47)25-13-14-28(36)31(18-25)40(44)45/h3-15,17-18,29H,16,19H2,1-2H3,(H,37,41)(H,38,42)/t29-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510546
PNG
(CHEMBL4447555)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C31H30Cl2N4O8S/c1-17(2)13-26(30(39)35-46(43,44)22-10-11-25(33)28(15-22)37(41)42)34-29(38)16-23-18(3)36(27-12-9-21(45-4)14-24(23)27)31(40)19-5-7-20(32)8-6-19/h5-12,14-15,17,26H,13,16H2,1-4H3,(H,34,38)(H,35,39)/t26-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510547
PNG
(CHEMBL4465313)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CCSC)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C30H28Cl2N4O8S2/c1-17-22(23-14-20(44-2)8-11-26(23)35(17)30(39)18-4-6-19(31)7-5-18)16-28(37)33-25(12-13-45-3)29(38)34-46(42,43)21-9-10-24(32)27(15-21)36(40)41/h4-11,14-15,25H,12-13,16H2,1-3H3,(H,33,37)(H,34,38)/t25-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510548
PNG
(CHEMBL4471126)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Br)cc3)c2c1 |r|
Show InChI InChI=1S/C34H29BrClN3O6S/c1-21-28(29-19-26(45-2)14-17-31(29)39(21)34(42)23-8-12-25(36)13-9-23)20-32(40)37-30(18-22-6-4-3-5-7-22)33(41)38-46(43,44)27-15-10-24(35)11-16-27/h3-17,19,30H,18,20H2,1-2H3,(H,37,40)(H,38,41)/t30-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510551
PNG
(CHEMBL4468354)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3ccc(OC(C)C)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C37H34Cl2N4O9S/c1-21(2)52-26-11-5-23(6-12-26)17-32(36(45)41-53(49,50)28-14-15-31(39)34(19-28)43(47)48)40-35(44)20-29-22(3)42(33-16-13-27(51-4)18-30(29)33)37(46)24-7-9-25(38)10-8-24/h5-16,18-19,21,32H,17,20H2,1-4H3,(H,40,44)(H,41,45)/t32-/m0/s1
PDB

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>5.00E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510550
PNG
(CHEMBL4435602)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1 |r|
Show InChI InChI=1S/C36H29Cl2N5O8S/c1-20-27(28-16-24(51-2)11-14-32(28)42(20)36(46)21-7-9-23(37)10-8-21)18-34(44)40-31(15-22-19-39-30-6-4-3-5-26(22)30)35(45)41-52(49,50)25-12-13-29(38)33(17-25)43(47)48/h3-14,16-17,19,31,39H,15,18H2,1-2H3,(H,40,44)(H,41,45)/t31-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50510543
PNG
(CHEMBL4528502)
Show SMILES COc1ccc(C[C@H](NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1 |r|
Show InChI InChI=1S/C35H31BrClN3O7S/c1-21-29(30-19-27(47-3)14-17-32(30)40(21)35(43)23-6-10-25(37)11-7-23)20-33(41)38-31(18-22-4-12-26(46-2)13-5-22)34(42)39-48(44,45)28-15-8-24(36)9-16-28/h4-17,19,31H,18,20H2,1-3H3,(H,38,41)(H,39,42)/t31-/m0/s1
PDB

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antibodypedia
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UniChem
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>5.00E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
PDB
MMDB

NCI pathway
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Article
PubMed
7.85E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 27: 2771-2783 (2019)


Article DOI: 10.1016/j.bmc.2019.05.003
BindingDB Entry DOI: 10.7270/Q2765JNW
More data for this
Ligand-Target Pair