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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50042336   
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))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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1n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) fluorescence polarization assay


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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310n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) fluorescence polarization assay


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424209
PNG
(CHEMBL2312470)
Show SMILES Nc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C29H23N3OS/c30-19-11-13-20(14-12-19)34-24-16-15-22-25-21(24)9-4-10-23(25)27-26(22)28(29(33)32-27)31-17-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-16H,5,8,17,30H2,(H,31,32,33)
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n/an/a 10n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424212
PNG
(CHEMBL2312483)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1NCCCc1ccccc1)c34)N1CCSCC1
Show InChI InChI=1S/C27H25N3OS/c31-27-26(28-13-5-8-18-6-2-1-3-7-18)24-20-11-12-22(30-14-16-32-17-15-30)19-9-4-10-21(23(19)20)25(24)29-27/h1-4,6-7,9-12H,5,8,13-17H2,(H,28,29,31)
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n/an/a 15n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424209
PNG
(CHEMBL2312470)
Show SMILES Nc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C29H23N3OS/c30-19-11-13-20(14-12-19)34-24-16-15-22-25-21(24)9-4-10-23(25)27-26(22)28(29(33)32-27)31-17-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-16H,5,8,17,30H2,(H,31,32,33)
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n/an/a 18n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424209
PNG
(CHEMBL2312470)
Show SMILES Nc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C29H23N3OS/c30-19-11-13-20(14-12-19)34-24-16-15-22-25-21(24)9-4-10-23(25)27-26(22)28(29(33)32-27)31-17-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-16H,5,8,17,30H2,(H,31,32,33)
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n/an/a 20n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424210
PNG
(CHEMBL2312469)
Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C26H25N3OS/c1-2-3-4-5-15-28-25-23-19-13-14-21(31-17-11-9-16(27)10-12-17)18-7-6-8-20(22(18)19)24(23)29-26(25)30/h6-14H,2-5,15,27H2,1H3,(H,28,29,30)
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n/an/a 30n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424203
PNG
(CHEMBL2312476)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C32H28N2O2/c1-20(2)22-13-15-23(16-14-22)36-27-18-17-25-28-24(27)11-6-12-26(28)30-29(25)31(32(35)34-30)33-19-7-10-21-8-4-3-5-9-21/h3-6,8-9,11-18,20H,7,10,19H2,1-2H3,(H,33,34,35)
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n/an/a 37n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424213
PNG
(CHEMBL2312482)
Show SMILES CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C24H27N3OS/c1-2-3-4-5-11-25-23-21-17-9-10-19(27-12-14-29-15-13-27)16-7-6-8-18(20(16)17)22(21)26-24(23)28/h6-10H,2-5,11-15H2,1H3,(H,25,26,28)
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n/an/a 37n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424220
PNG
(CHEMBL2312477)
Show SMILES CCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C23H25N3OS/c1-2-3-4-10-24-22-20-16-8-9-18(26-11-13-28-14-12-26)15-6-5-7-17(19(15)16)21(20)25-23(22)27/h5-9H,2-4,10-14H2,1H3,(H,24,25,27)
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n/an/a 37n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424203
PNG
(CHEMBL2312476)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C32H28N2O2/c1-20(2)22-13-15-23(16-14-22)36-27-18-17-25-28-24(27)11-6-12-26(28)30-29(25)31(32(35)34-30)33-19-7-10-21-8-4-3-5-9-21/h3-6,8-9,11-18,20H,7,10,19H2,1-2H3,(H,33,34,35)
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n/an/a 39n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424203
PNG
(CHEMBL2312476)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C32H28N2O2/c1-20(2)22-13-15-23(16-14-22)36-27-18-17-25-28-24(27)11-6-12-26(28)30-29(25)31(32(35)34-30)33-19-7-10-21-8-4-3-5-9-21/h3-6,8-9,11-18,20H,7,10,19H2,1-2H3,(H,33,34,35)
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n/an/a 42n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424206
PNG
(CHEMBL2312473)
Show SMILES OOc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C29H22N2O3S/c32-29-28(30-17-5-8-18-6-2-1-3-7-18)26-22-15-16-24(35-20-13-11-19(34-33)12-14-20)21-9-4-10-23(25(21)22)27(26)31-29/h1-4,6-7,9-16,33H,5,8,17H2,(H,30,31,32)
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n/an/a 42n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424212
PNG
(CHEMBL2312483)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1NCCCc1ccccc1)c34)N1CCSCC1
Show InChI InChI=1S/C27H25N3OS/c31-27-26(28-13-5-8-18-6-2-1-3-7-18)24-20-11-12-22(30-14-16-32-17-15-30)19-9-4-10-21(23(19)20)25(24)29-27/h1-4,6-7,9-12H,5,8,13-17H2,(H,28,29,31)
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n/an/a 43n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424212
PNG
(CHEMBL2312483)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1NCCCc1ccccc1)c34)N1CCSCC1
Show InChI InChI=1S/C27H25N3OS/c31-27-26(28-13-5-8-18-6-2-1-3-7-18)24-20-11-12-22(30-14-16-32-17-15-30)19-9-4-10-21(23(19)20)25(24)29-27/h1-4,6-7,9-12H,5,8,13-17H2,(H,28,29,31)
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n/an/a 49n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424211
PNG
(CHEMBL2312484)
Show SMILES CCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C24H21N3OS/c1-2-3-13-26-23-21-17-11-12-19(29-15-9-7-14(25)8-10-15)16-5-4-6-18(20(16)17)22(21)27-24(23)28/h4-12H,2-3,13,25H2,1H3,(H,26,27,28)
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n/an/a 50n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424206
PNG
(CHEMBL2312473)
Show SMILES OOc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C29H22N2O3S/c32-29-28(30-17-5-8-18-6-2-1-3-7-18)26-22-15-16-24(35-20-13-11-19(34-33)12-14-20)21-9-4-10-23(25(21)22)27(26)31-29/h1-4,6-7,9-16,33H,5,8,17H2,(H,30,31,32)
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n/an/a 53n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424206
PNG
(CHEMBL2312473)
Show SMILES OOc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C29H22N2O3S/c32-29-28(30-17-5-8-18-6-2-1-3-7-18)26-22-15-16-24(35-20-13-11-19(34-33)12-14-20)21-9-4-10-23(25(21)22)27(26)31-29/h1-4,6-7,9-16,33H,5,8,17H2,(H,30,31,32)
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n/an/a 57n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424210
PNG
(CHEMBL2312469)
Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C26H25N3OS/c1-2-3-4-5-15-28-25-23-19-13-14-21(31-17-11-9-16(27)10-12-17)18-7-6-8-20(22(18)19)24(23)29-26(25)30/h6-14H,2-5,15,27H2,1H3,(H,28,29,30)
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n/an/a 71n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424204
PNG
(CHEMBL2312475)
Show SMILES CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C29H30N2O2/c1-4-5-6-7-17-30-28-26-22-15-16-24(33-20-13-11-19(12-14-20)18(2)3)21-9-8-10-23(25(21)22)27(26)31-29(28)32/h8-16,18H,4-7,17H2,1-3H3,(H,30,31,32)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424207
PNG
(CHEMBL2312472)
Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C27H26N2O2S/c1-3-4-5-6-16-28-26-24-20-14-15-22(32-18-12-10-17(31-2)11-13-18)19-8-7-9-21(23(19)20)25(24)29-27(26)30/h7-15H,3-6,16H2,1-2H3,(H,28,29,30)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424214
PNG
(CHEMBL2312481)
Show SMILES CCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C22H23N3OS/c1-2-3-9-23-21-19-15-7-8-17(25-10-12-27-13-11-25)14-5-4-6-16(18(14)15)20(19)24-22(21)26/h4-8H,2-3,9-13H2,1H3,(H,23,24,26)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424210
PNG
(CHEMBL2312469)
Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C26H25N3OS/c1-2-3-4-5-15-28-25-23-19-13-14-21(31-17-11-9-16(27)10-12-17)18-7-6-8-20(22(18)19)24(23)29-26(25)30/h6-14H,2-5,15,27H2,1H3,(H,28,29,30)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424213
PNG
(CHEMBL2312482)
Show SMILES CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C24H27N3OS/c1-2-3-4-5-11-25-23-21-17-9-10-19(27-12-14-29-15-13-27)16-7-6-8-18(20(16)17)22(21)26-24(23)28/h6-10H,2-5,11-15H2,1H3,(H,25,26,28)
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n/an/a 85n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50336590
PNG
(3-(4-aminophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES Nc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C21H11N3OS/c22-10-16-19-14-8-9-17(26-12-6-4-11(23)5-7-12)13-2-1-3-15(18(13)14)20(19)24-21(16)25/h1-9H,23H2
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424213
PNG
(CHEMBL2312482)
Show SMILES CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C24H27N3OS/c1-2-3-4-5-11-25-23-21-17-9-10-19(27-12-14-29-15-13-27)16-7-6-8-18(20(16)17)22(21)26-24(23)28/h6-10H,2-5,11-15H2,1H3,(H,25,26,28)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424205
PNG
(CHEMBL2312474)
Show SMILES CCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C27H26N2O2/c1-4-5-15-28-26-24-20-13-14-22(31-18-11-9-17(10-12-18)16(2)3)19-7-6-8-21(23(19)20)25(24)29-27(26)30/h6-14,16H,4-5,15H2,1-3H3,(H,28,29,30)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424208
PNG
(CHEMBL2312471)
Show SMILES CCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C25H22N2O2S/c1-3-4-14-26-24-22-18-12-13-20(30-16-10-8-15(29-2)9-11-16)17-6-5-7-19(21(17)18)23(22)27-25(24)28/h5-13H,3-4,14H2,1-2H3,(H,26,27,28)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424204
PNG
(CHEMBL2312475)
Show SMILES CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C29H30N2O2/c1-4-5-6-7-17-30-28-26-22-15-16-24(33-20-13-11-19(12-14-20)18(2)3)21-9-8-10-23(25(21)22)27(26)31-29(28)32/h8-16,18H,4-7,17H2,1-3H3,(H,30,31,32)
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n/an/a 162n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424211
PNG
(CHEMBL2312484)
Show SMILES CCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C24H21N3OS/c1-2-3-13-26-23-21-17-11-12-19(29-15-9-7-14(25)8-10-15)16-5-4-6-18(20(16)17)22(21)27-24(23)28/h4-12H,2-3,13,25H2,1H3,(H,26,27,28)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424214
PNG
(CHEMBL2312481)
Show SMILES CCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C22H23N3OS/c1-2-3-9-23-21-19-15-7-8-17(25-10-12-27-13-11-25)14-5-4-6-16(18(14)15)20(19)24-22(21)26/h4-8H,2-3,9-13H2,1H3,(H,23,24,26)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424207
PNG
(CHEMBL2312472)
Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C27H26N2O2S/c1-3-4-5-6-16-28-26-24-20-14-15-22(32-18-12-10-17(31-2)11-13-18)19-8-7-9-21(23(19)20)25(24)29-27(26)30/h7-15H,3-6,16H2,1-2H3,(H,28,29,30)
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n/an/a 181n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424204
PNG
(CHEMBL2312475)
Show SMILES CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C29H30N2O2/c1-4-5-6-7-17-30-28-26-22-15-16-24(33-20-13-11-19(12-14-20)18(2)3)21-9-8-10-23(25(21)22)27(26)31-29(28)32/h8-16,18H,4-7,17H2,1-3H3,(H,30,31,32)
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n/an/a 184n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424211
PNG
(CHEMBL2312484)
Show SMILES CCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C24H21N3OS/c1-2-3-13-26-23-21-17-11-12-19(29-15-9-7-14(25)8-10-15)16-5-4-6-18(20(16)17)22(21)27-24(23)28/h4-12H,2-3,13,25H2,1H3,(H,26,27,28)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424214
PNG
(CHEMBL2312481)
Show SMILES CCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C22H23N3OS/c1-2-3-9-23-21-19-15-7-8-17(25-10-12-27-13-11-25)14-5-4-6-16(18(14)15)20(19)24-22(21)26/h4-8H,2-3,9-13H2,1H3,(H,23,24,26)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424207
PNG
(CHEMBL2312472)
Show SMILES CCCCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C27H26N2O2S/c1-3-4-5-6-16-28-26-24-20-14-15-22(32-18-12-10-17(31-2)11-13-18)19-8-7-9-21(23(19)20)25(24)29-27(26)30/h7-15H,3-6,16H2,1-2H3,(H,28,29,30)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424205
PNG
(CHEMBL2312474)
Show SMILES CCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C27H26N2O2/c1-4-5-15-28-26-24-20-13-14-22(31-18-11-9-17(10-12-18)16(2)3)19-7-6-8-21(23(19)20)25(24)29-27(26)30/h6-14,16H,4-5,15H2,1-3H3,(H,28,29,30)
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50336590
PNG
(3-(4-aminophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES Nc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C21H11N3OS/c22-10-16-19-14-8-9-17(26-12-6-4-11(23)5-7-12)13-2-1-3-15(18(13)14)20(19)24-21(16)25/h1-9H,23H2
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Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50424208
PNG
(CHEMBL2312471)
Show SMILES CCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C25H22N2O2S/c1-3-4-14-26-24-22-18-12-13-20(30-16-10-8-15(29-2)9-11-16)17-6-5-7-19(21(17)18)23(22)27-25(24)28/h5-13H,3-4,14H2,1-2H3,(H,26,27,28)
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n/an/a 315n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50336580
PNG
(CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
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n/an/a 321n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424205
PNG
(CHEMBL2312474)
Show SMILES CCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C27H26N2O2/c1-4-5-15-28-26-24-20-13-14-22(31-18-11-9-17(10-12-18)16(2)3)19-7-6-8-21(23(19)20)25(24)29-27(26)30/h6-14,16H,4-5,15H2,1-3H3,(H,28,29,30)
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n/an/a 322n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50336590
PNG
(3-(4-aminophenylthio)-8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES Nc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C21H11N3OS/c22-10-16-19-14-8-9-17(26-12-6-4-11(23)5-7-12)13-2-1-3-15(18(13)14)20(19)24-21(16)25/h1-9H,23H2
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n/an/a 331n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50424208
PNG
(CHEMBL2312471)
Show SMILES CCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C25H22N2O2S/c1-3-4-14-26-24-22-18-12-13-20(30-16-10-8-15(29-2)9-11-16)17-6-5-7-19(21(17)18)23(22)27-25(24)28/h5-13H,3-4,14H2,1-2H3,(H,26,27,28)
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n/an/a 356n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50336585
PNG
(3-(4-methoxyphenylthio)-8-oxo-8H-acenaphtho[1,2-b]...)
Show SMILES COc1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O2S/c1-26-12-5-7-13(8-6-12)27-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3
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n/an/a 388n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50424218
PNG
(CHEMBL2312479)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1NCc1ccccc1)c34)N1CCSCC1
Show InChI InChI=1S/C25H21N3OS/c29-25-24(26-15-16-5-2-1-3-6-16)22-18-9-10-20(28-11-13-30-14-12-28)17-7-4-8-19(21(17)18)23(22)27-25/h1-10H,11-15H2,(H,26,27,29)
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n/an/a 521n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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n/an/a 625n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50336580
PNG
(CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
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n/an/a 650n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
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n/an/a 715n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50336580
PNG
(CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...)
Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3
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n/an/a 739n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
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