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11 similar compounds to monomer 50181876

Wt: 568.7
BDBM50181873
Wt: 542.6
BDBM50181884
Wt: 583.6
BDBM50181887
Wt: 541.6
BDBM50181896
Wt: 612.6
BDBM50362142
Wt: 576.6
BDBM50362149
Wt: 594.6
BDBM50362150
Wt: 594.6
BDBM50362151
Wt: 594.6
BDBM50362152
Wt: 655.5
BDBM50362153
Wt: 539.5
BDBM50373072

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50181873,50181884,50181887,50181896,50362142,50362149,50362150,50362151,50362152,50362153,50373072   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-xL/BAK


(Homo sapiens)
BDBM50181873
PNG
(CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...)
Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50181873
PNG
(CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...)
Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)
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192n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl2 by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50362149
PNG
(CHEMBL1940668)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34)
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630n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50181873
PNG
(CHEMBL383229 | N-[4-(4,4-dimethylpiperidin-1-yl)be...)
Show SMILES CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N4O5S2/c1-28(2)14-17-31(18-15-28)22-10-8-21(9-11-22)27(33)30-39(36,37)24-12-13-25(26(20-24)32(34)35)29-16-19-38-23-6-4-3-5-7-23/h3-13,20,29H,14-19H2,1-2H3,(H,30,33)
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652n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50362153
PNG
(CHEMBL1940678)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C28H23BrN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35)
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760n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50181887
PNG
(CHEMBL202509 | N-[4-(4-acetylpiperazin-1-yl)benzoy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H29N5O6S2/c1-20(33)30-14-16-31(17-15-30)22-9-7-21(8-10-22)27(34)29-40(37,38)24-11-12-25(26(19-24)32(35)36)28-13-18-39-23-5-3-2-4-6-23/h2-12,19,28H,13-18H2,1H3,(H,29,34)
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894n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50362152
PNG
(CHEMBL1940671)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35)
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930n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50181884
PNG
(CHEMBL204915 | N-(4-morpholin-4-ylbenzoyl)-3-nitro...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C25H26N4O6S2/c30-25(19-6-8-20(9-7-19)28-13-15-35-16-14-28)27-37(33,34)22-10-11-23(24(18-22)29(31)32)26-12-17-36-21-4-2-1-3-5-21/h1-11,18,26H,12-17H2,(H,27,30)
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1.08E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50362150
PNG
(CHEMBL1940669)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-24-9-5-4-8-23(24)28(35)31-20-12-10-19(11-13-20)27(34)32-41(38,39)22-14-15-25(26(18-22)33(36)37)30-16-17-40-21-6-2-1-3-7-21/h1-15,18,30H,16-17H2,(H,31,35)(H,32,34)
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1.09E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50362151
PNG
(CHEMBL1940670)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-21-6-4-5-20(17-21)27(34)31-22-11-9-19(10-12-22)28(35)32-41(38,39)24-13-14-25(26(18-24)33(36)37)30-15-16-40-23-7-2-1-3-8-23/h1-14,17-18,30H,15-16H2,(H,31,34)(H,32,35)
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1.40E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50362153
PNG
(CHEMBL1940678)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C28H23BrN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35)
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1.50E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50362149
PNG
(CHEMBL1940668)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34)
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1.67E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50362149
PNG
(CHEMBL1940668)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34)
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1.70E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50362150
PNG
(CHEMBL1940669)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-24-9-5-4-8-23(24)28(35)31-20-12-10-19(11-13-20)27(34)32-41(38,39)22-14-15-25(26(18-22)33(36)37)30-16-17-40-21-6-2-1-3-7-21/h1-15,18,30H,16-17H2,(H,31,35)(H,32,34)
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1.71E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50362152
PNG
(CHEMBL1940671)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35)
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1.94E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50362151
PNG
(CHEMBL1940670)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-21-6-4-5-20(17-21)27(34)31-22-11-9-19(10-12-22)28(35)32-41(38,39)24-13-14-25(26(18-24)33(36)37)30-15-16-40-23-7-2-1-3-8-23/h1-14,17-18,30H,15-16H2,(H,31,34)(H,32,35)
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2.08E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50362142
PNG
(CHEMBL1940680)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H24N4O7S3/c32-27(20-11-13-21(14-12-20)29-40(35,36)23-9-5-2-6-10-23)30-41(37,38)24-15-16-25(26(19-24)31(33)34)28-17-18-39-22-7-3-1-4-8-22/h1-16,19,28-29H,17-18H2,(H,30,32)
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2.29E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50362149
PNG
(CHEMBL1940668)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34)
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2.51E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50181896
PNG
(3-nitro-4-(2-phenylsulfanylethylamino)-N-(4-pipera...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H27N5O5S2/c31-25(19-6-8-20(9-7-19)29-15-12-26-13-16-29)28-37(34,35)22-10-11-23(24(18-22)30(32)33)27-14-17-36-21-4-2-1-3-5-21/h1-11,18,26-27H,12-17H2,(H,28,31)
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2.52E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50362152
PNG
(CHEMBL1940671)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35)
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2.54E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50181887
PNG
(CHEMBL202509 | N-[4-(4-acetylpiperazin-1-yl)benzoy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H29N5O6S2/c1-20(33)30-14-16-31(17-15-30)22-9-7-21(8-10-22)27(34)29-40(37,38)24-11-12-25(26(19-24)32(35)36)28-13-18-39-23-5-3-2-4-6-23/h2-12,19,28H,13-18H2,1H3,(H,29,34)
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2.97E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50362150
PNG
(CHEMBL1940669)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-24-9-5-4-8-23(24)28(35)31-20-12-10-19(11-13-20)27(34)32-41(38,39)22-14-15-25(26(18-22)33(36)37)30-16-17-40-21-6-2-1-3-7-21/h1-15,18,30H,16-17H2,(H,31,35)(H,32,34)
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3.02E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50362151
PNG
(CHEMBL1940670)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
Show InChI InChI=1S/C28H23FN4O6S2/c29-21-6-4-5-20(17-21)27(34)31-22-11-9-19(10-12-22)28(35)32-41(38,39)24-13-14-25(26(18-24)33(36)37)30-15-16-40-23-7-2-1-3-8-23/h1-14,17-18,30H,15-16H2,(H,31,34)(H,32,35)
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3.09E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50362153
PNG
(CHEMBL1940678)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C28H23BrN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35)
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4.10E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50362149
PNG
(CHEMBL1940668)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34)
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4.16E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50362149
PNG
(CHEMBL1940668)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34)
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6.70E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50362142
PNG
(CHEMBL1940680)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H24N4O7S3/c32-27(20-11-13-21(14-12-20)29-40(35,36)23-9-5-2-6-10-23)30-41(37,38)24-15-16-25(26(19-24)31(33)34)28-17-18-39-22-7-3-1-4-8-22/h1-16,19,28-29H,17-18H2,(H,30,32)
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7.22E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50181884
PNG
(CHEMBL204915 | N-(4-morpholin-4-ylbenzoyl)-3-nitro...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C25H26N4O6S2/c30-25(19-6-8-20(9-7-19)28-13-15-35-16-14-28)27-37(33,34)22-10-11-23(24(18-22)29(31)32)26-12-17-36-21-4-2-1-3-5-21/h1-11,18,26H,12-17H2,(H,27,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl2 by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50181884
PNG
(CHEMBL204915 | N-(4-morpholin-4-ylbenzoyl)-3-nitro...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C25H26N4O6S2/c30-25(19-6-8-20(9-7-19)28-13-15-35-16-14-28)27-37(33,34)22-10-11-23(24(18-22)29(31)32)26-12-17-36-21-4-2-1-3-5-21/h1-11,18,26H,12-17H2,(H,27,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50181887
PNG
(CHEMBL202509 | N-[4-(4-acetylpiperazin-1-yl)benzoy...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H29N5O6S2/c1-20(33)30-14-16-31(17-15-30)22-9-7-21(8-10-22)27(34)29-40(37,38)24-11-12-25(26(19-24)32(35)36)28-13-18-39-23-5-3-2-4-6-23/h2-12,19,28H,13-18H2,1H3,(H,29,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl2 by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50181896
PNG
(3-nitro-4-(2-phenylsulfanylethylamino)-N-(4-pipera...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C25H27N5O5S2/c31-25(19-6-8-20(9-7-19)29-15-12-26-13-16-29)28-37(34,35)22-10-11-23(24(18-22)30(32)33)27-14-17-36-21-4-2-1-3-5-21/h1-11,18,26-27H,12-17H2,(H,28,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50362142
PNG
(CHEMBL1940680)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H24N4O7S3/c32-27(20-11-13-21(14-12-20)29-40(35,36)23-9-5-2-6-10-23)30-41(37,38)24-15-16-25(26(19-24)31(33)34)28-17-18-39-22-7-3-1-4-8-22/h1-16,19,28-29H,17-18H2,(H,30,32)
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1.52E+4n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay


Bioorg Med Chem Lett 22: 39-44 (2011)

More data for this
Ligand-Target Pair
Bcl2-antagonist of cell death (BAD)


(Homo sapiens)
BDBM50373072
PNG
(CHEMBL402005)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCS1=CC=CC=C1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H22FN3O5S2/c27-22-10-8-20(9-11-22)19-4-6-21(7-5-19)26(31)29-37(34,35)23-12-13-24(25(18-23)30(32)33)28-14-17-36-15-2-1-3-16-36/h1-13,15-16,18,28H,14,17H2,(H,29,31)
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n/an/a 36n/an/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL


Nature 450: 1001-1009 (2007)

More data for this
Ligand-Target Pair