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PubMed code 28866374

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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))		BDBM50261488
PNG
(CHEMBL4080450)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C39H35N3O5S/c1-27-34(35-25-32(47-2)22-23-37(35)42(27)31-20-18-30(19-21-31)29-14-8-4-9-15-29)26-38(43)40-36(24-28-12-6-3-7-13-28)39(44)41-48(45,46)33-16-10-5-11-17-33/h3-23,25,36H,24,26H2,1-2H3,(H,40,43)(H,41,44)/t36-/m0/s1
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 350n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
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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 470n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Mcl1 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261487
PNG
(CHEMBL4098468)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)n(-c2ccc(cc2)-c2ccccc2)c2ccc(OC)cc12 |r|
Show InChI InChI=1S/C40H37N3O6S/c1-27-35(36-25-33(49-3)20-23-38(36)43(27)31-16-14-30(15-17-31)29-12-8-5-9-13-29)26-39(44)41-37(24-28-10-6-4-7-11-28)40(45)42-50(46,47)34-21-18-32(48-2)19-22-34/h4-23,25,37H,24,26H2,1-3H3,(H,41,44)(H,42,45)/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-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50261501
PNG
(CHEMBL4060912)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C39H33ClN4O7S/c1-25-32(33-22-30(51-2)17-20-36(33)43(25)29-15-13-28(14-16-29)27-11-7-4-8-12-27)24-38(45)41-35(21-26-9-5-3-6-10-26)39(46)42-52(49,50)31-18-19-34(40)37(23-31)44(47)48/h3-20,22-23,35H,21,24H2,1-2H3,(H,41,45)(H,42,46)/t35-/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-Bid-BH3 peptide binding to Mcl1 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261501
PNG
(CHEMBL4060912)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C39H33ClN4O7S/c1-25-32(33-22-30(51-2)17-20-36(33)43(25)29-15-13-28(14-16-29)27-11-7-4-8-12-27)24-38(45)41-35(21-26-9-5-3-6-10-26)39(46)42-52(49,50)31-18-19-34(40)37(23-31)44(47)48/h3-20,22-23,35H,21,24H2,1-2H3,(H,41,45)(H,42,46)/t35-/m0/s1
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 580n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261495
PNG
(CHEMBL4085172)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H24ClN3O6S/c1-19-25(18-30(35)32-41(38,39)24-13-14-27(31)29(17-24)34(36)37)26-16-23(40-2)12-15-28(26)33(19)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,32,35)
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 720n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261489
PNG
(CHEMBL4090747)
Show SMILES COc1ccc2n(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)-c1ccc(C)cc1 |r|
Show InChI InChI=1S/C41H36ClN5O10S/c1-25-4-10-29(11-5-25)45-26(2)34(35-21-32(56-3)16-19-38(35)45)23-40(48)43-37(41(49)44-58(54,55)33-17-18-36(42)39(22-33)47(52)53)20-27-8-14-31(15-9-27)57-24-28-6-12-30(13-7-28)46(50)51/h4-19,21-22,37H,20,23-24H2,1-3H3,(H,43,48)(H,44,49)/t37-/m0/s1
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 720n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261478
PNG
(CHEMBL4063698)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C41H34ClN5O7S/c1-25-33(34-21-30(54-2)16-19-38(34)46(25)29-14-12-27(13-15-29)26-8-4-3-5-9-26)23-40(48)44-37(20-28-24-43-36-11-7-6-10-32(28)36)41(49)45-55(52,53)31-17-18-35(42)39(22-31)47(50)51/h3-19,21-22,24,37,43H,20,23H2,1-2H3,(H,44,48)(H,45,49)/t37-/m0/s1
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 830n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50261487
PNG
(CHEMBL4098468)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)n(-c2ccc(cc2)-c2ccccc2)c2ccc(OC)cc12 |r|
Show InChI InChI=1S/C40H37N3O6S/c1-27-35(36-25-33(49-3)20-23-38(36)43(27)31-16-14-30(15-17-31)29-12-8-5-9-13-29)26-39(44)41-37(24-28-10-6-4-7-11-28)40(45)42-50(46,47)34-21-18-32(48-2)19-22-34/h4-23,25,37H,24,26H2,1-3H3,(H,41,44)(H,42,45)/t37-/m0/s1
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 880n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Mcl1 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261486
PNG
(CHEMBL4060065)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C39H34N4O7S/c1-26-34(35-24-32(50-2)19-22-37(35)42(26)30-15-13-29(14-16-30)28-11-7-4-8-12-28)25-38(44)40-36(23-27-9-5-3-6-10-27)39(45)41-51(48,49)33-20-17-31(18-21-33)43(46)47/h3-22,24,36H,23,25H2,1-2H3,(H,40,44)(H,41,45)/t36-/m0/s1
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 910n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261502
PNG
(CHEMBL4088301)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(Cl)cc3)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C39H34ClN3O5S/c1-26-34(35-24-32(48-2)19-22-37(35)43(26)31-17-13-29(14-18-31)28-11-7-4-8-12-28)25-38(44)41-36(23-27-9-5-3-6-10-27)39(45)42-49(46,47)33-20-15-30(40)16-21-33/h3-22,24,36H,23,25H2,1-2H3,(H,41,44)(H,42,45)/t36-/m0/s1
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 910n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
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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 940n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))		BDBM50261488
PNG
(CHEMBL4080450)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C39H35N3O5S/c1-27-34(35-25-32(47-2)22-23-37(35)42(27)31-20-18-30(19-21-31)29-14-8-4-9-15-29)26-38(43)40-36(24-28-12-6-3-7-13-28)39(44)41-48(45,46)33-16-10-5-11-17-33/h3-23,25,36H,24,26H2,1-2H3,(H,40,43)(H,41,44)/t36-/m0/s1
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 960n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Mcl1 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
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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 1.20E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl-XL (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pe...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261493
PNG
(CHEMBL4099393)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(NCc4ccccc4)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C37H32N4O6S/c1-25-32(33-21-30(47-2)17-20-35(33)40(25)29-15-13-28(14-16-29)27-11-7-4-8-12-27)23-37(42)39-48(45,46)31-18-19-34(36(22-31)41(43)44)38-24-26-9-5-3-6-10-26/h3-22,38H,23-24H2,1-2H3,(H,39,42)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261490
PNG
(CHEMBL4082955)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H32N4O7S/c1-23-29(22-34(39)35-46(42,43)28-13-15-32(33(21-28)38(40)41)36-16-18-45-19-17-36)30-20-27(44-2)12-14-31(30)37(23)26-10-8-25(9-11-26)24-6-4-3-5-7-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,39)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261496
PNG
(CHEMBL4097272)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccccc3)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H26N2O4S/c1-21-27(20-30(33)31-37(34,35)26-11-7-4-8-12-26)28-19-25(36-2)17-18-29(28)32(21)24-15-13-23(14-16-24)22-9-5-3-6-10-22/h3-19H,20H2,1-2H3,(H,31,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261479
PNG
(CHEMBL4099249)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(C)n(-c2ccc(cc2)-c2ccccc2)c2ccc(OC)cc12 |r|
Show InChI InChI=1S/C42H38N4O6S/c1-27-36(37-24-33(52-3)19-22-40(37)46(27)31-15-13-29(14-16-31)28-9-5-4-6-10-28)25-41(47)44-39(23-30-26-43-38-12-8-7-11-35(30)38)42(48)45-53(49,50)34-20-17-32(51-2)18-21-34/h4-22,24,26,39,43H,23,25H2,1-3H3,(H,44,47)(H,45,48)/t39-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261529
PNG
(CHEMBL4076908)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H22ClN3O6S/c1-15-4-6-17(7-5-15)28-16(2)20(21-12-18(35-3)8-11-23(21)28)14-25(30)27-36(33,34)19-9-10-22(26)24(13-19)29(31)32/h4-13H,14H2,1-3H3,(H,27,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261503
PNG
(CHEMBL4069750)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccccc3)c2c1)-c1ccc(C)cc1 |r|
Show InChI InChI=1S/C34H33N3O5S/c1-23-14-16-26(17-15-23)37-24(2)29(30-21-27(42-3)18-19-32(30)37)22-33(38)35-31(20-25-10-6-4-7-11-25)34(39)36-43(40,41)28-12-8-5-9-13-28/h4-19,21,31H,20,22H2,1-3H3,(H,35,38)(H,36,39)/t31-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261494
PNG
(CHEMBL4063542)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(NC4CCCCC4)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C36H36N4O6S/c1-24-31(23-36(41)38-47(44,45)30-18-19-33(35(22-30)40(42)43)37-27-11-7-4-8-12-27)32-21-29(46-2)17-20-34(32)39(24)28-15-13-26(14-16-28)25-9-5-3-6-10-25/h3,5-6,9-10,13-22,27,37H,4,7-8,11-12,23H2,1-2H3,(H,38,41)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261485
PNG
(CHEMBL4082781)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)NS(=O)(=O)c3ccc(cc3)-c3ccccc3)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C45H39N3O5S/c1-31-40(41-29-38(53-2)24-27-43(41)48(31)37-22-18-35(19-23-37)33-14-8-4-9-15-33)30-44(49)46-42(28-32-12-6-3-7-13-32)45(50)47-54(51,52)39-25-20-36(21-26-39)34-16-10-5-11-17-34/h3-27,29,42H,28,30H2,1-2H3,(H,46,49)(H,47,50)/t42-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261499
PNG
(CHEMBL4088564)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)Cc1c(C)n(-c2ccc(C)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C26H26N2O5S/c1-17-5-7-19(8-6-17)28-18(2)23(24-15-21(33-4)11-14-25(24)28)16-26(29)27-34(30,31)22-12-9-20(32-3)10-13-22/h5-15H,16H2,1-4H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261498
PNG
(CHEMBL4061153)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(N4CCN(C)CC4)c(c3)[N+]([O-])=O)c2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C30H33N5O6S/c1-20-5-7-22(8-6-20)34-21(2)25(26-17-23(41-4)9-11-27(26)34)19-30(36)31-42(39,40)24-10-12-28(29(18-24)35(37)38)33-15-13-32(3)14-16-33/h5-12,17-18H,13-16,19H2,1-4H3,(H,31,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261528
PNG
(CHEMBL4092914)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C29H30N4O7S/c1-19-4-6-21(7-5-19)32-20(2)24(25-16-22(39-3)8-10-26(25)32)18-29(34)30-41(37,38)23-9-11-27(28(17-23)33(35)36)31-12-14-40-15-13-31/h4-11,16-17H,12-15,18H2,1-3H3,(H,30,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261505
PNG
(CHEMBL4070913)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)Cc1c(C)n(-c2ccc(cc2)-c2ccccc2)c2ccc(OC)cc12
Show InChI InChI=1S/C31H28N2O5S/c1-21-28(20-31(34)32-39(35,36)27-16-13-25(37-2)14-17-27)29-19-26(38-3)15-18-30(29)33(21)24-11-9-23(10-12-24)22-7-5-4-6-8-22/h4-19H,20H2,1-3H3,(H,32,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261484
PNG
(CHEMBL4072297)
Show SMILES COc1ccc2n(c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NS(=O)(=O)c3ccccc3)c2c1)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C41H36N4O5S/c1-27-35(36-24-32(50-2)21-22-39(36)45(27)31-19-17-29(18-20-31)28-11-5-3-6-12-28)25-40(46)43-38(23-30-26-42-37-16-10-9-15-34(30)37)41(47)44-51(48,49)33-13-7-4-8-14-33/h3-22,24,26,38,42H,23,25H2,1-2H3,(H,43,46)(H,44,47)/t38-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261530
PNG
(CHEMBL4091513)
Show SMILES COc1ccc2n(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)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C46H38ClN5O10S/c1-29-39(40-25-37(61-2)20-23-43(40)50(29)34-16-12-33(13-17-34)32-6-4-3-5-7-32)27-45(53)48-42(46(54)49-63(59,60)38-21-22-41(47)44(26-38)52(57)58)24-30-10-18-36(19-11-30)62-28-31-8-14-35(15-9-31)51(55)56/h3-23,25-26,42H,24,27-28H2,1-2H3,(H,48,53)(H,49,54)/t42-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261500
PNG
(CHEMBL4102882)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H23N3O6S/c1-16-4-6-18(7-5-16)27-17(2)22(23-14-20(34-3)10-13-24(23)27)15-25(29)26-35(32,33)21-11-8-19(9-12-21)28(30)31/h4-14H,15H2,1-3H3,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261492
PNG
(CHEMBL4061074)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C38H34N4O6S2/c1-26-33(34-23-30(48-2)17-20-36(34)41(26)29-15-13-28(14-16-29)27-9-5-3-6-10-27)25-38(43)40-50(46,47)32-18-19-35(37(24-32)42(44)45)39-21-22-49-31-11-7-4-8-12-31/h3-20,23-24,39H,21-22,25H2,1-2H3,(H,40,43)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261504
PNG
(CHEMBL4072468)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(NCCCc4ccccc4)c(c3)[N+]([O-])=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C39H36N4O6S/c1-27-34(35-24-32(49-2)19-22-37(35)42(27)31-17-15-30(16-18-31)29-13-7-4-8-14-29)26-39(44)41-50(47,48)33-20-21-36(38(25-33)43(45)46)40-23-9-12-28-10-5-3-6-11-28/h3-8,10-11,13-22,24-25,40H,9,12,23,26H2,1-2H3,(H,41,44)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50261497
PNG
(CHEMBL4066108)
Show SMILES COc1ccc2n(c(C)c(CC(=O)NS(=O)(=O)c3ccc(NCc4ccccc4)c(c3)[N+]([O-])=O)c2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C32H30N4O6S/c1-21-9-11-24(12-10-21)35-22(2)27(28-17-25(42-3)13-16-30(28)35)19-32(37)34-43(40,41)26-14-15-29(31(18-26)36(38)39)33-20-23-7-5-4-6-8-23/h4-18,33H,19-20H2,1-3H3,(H,34,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 pept...

Bioorg Med Chem 25: 5548-5556 (2017)


Article DOI: 10.1016/j.bmc.2017.08.024
BindingDB Entry DOI: 10.7270/Q2FX7CX8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%