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285 similar compounds to monomer 178831

Compile data set for download or QSAR
Wt: 857.4
BDBM47129
Wt: 1004.5
BDBM47131
Wt: 896.3
BDBM144853
Wt: 861.8
BDBM144854
Wt: 876.8
BDBM144858
Wt: 933.5
BDBM144867
Wt: 906.9
BDBM144870
Wt: 877.8
BDBM144927
Wt: 915.5
BDBM144931
Wt: 931.9
BDBM144933
Wt: 845.4
BDBM144936
Wt: 910.5
BDBM144881
Wt: 880.4
BDBM144822
Wt: 910.5
BDBM144823
Wt: 880.4
BDBM144884
Displayed 1 to 15 (of 285 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 47129,47131,144822,144823,144853,144854,144858,144867,144870,144881,144884,144927,144931,144933,144936   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144858
PNG
(US8952157, 40 | US9303025, 40)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(N)c(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H51Cl2N7O6S/c1-44(2)17-14-30(37(27-44)29-4-6-31(45)7-5-29)28-51-20-22-52(23-21-51)33-8-11-36(42(24-33)59-34-9-12-39(47)38(46)25-34)43(54)49-60(57,58)35-10-13-40(41(26-35)53(55)56)48-32-15-18-50(3)19-16-32/h4-13,24-26,32,48H,14-23,27-28,47H2,1-3H3,(H,49,54)
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US Patent
0.0190 -14.6n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144858
PNG
(US8952157, 40 | US9303025, 40)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(N)c(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H51Cl2N7O6S/c1-44(2)17-14-30(37(27-44)29-4-6-31(45)7-5-29)28-51-20-22-52(23-21-51)33-8-11-36(42(24-33)59-34-9-12-39(47)38(46)25-34)43(54)49-60(57,58)35-10-13-40(41(26-35)53(55)56)48-32-15-18-50(3)19-16-32/h4-13,24-26,32,48H,14-23,27-28,47H2,1-3H3,(H,49,54)
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US Patent
0.0190 -14.6n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144853
PNG
(US8952157, 35 | US9303025, 35)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc(Cl)cc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H49Cl3N6O6S/c1-44(2)15-12-30(39(27-44)29-4-6-31(45)7-5-29)28-51-18-20-52(21-19-51)35-8-10-38(42(25-35)59-36-23-32(46)22-33(47)24-36)43(54)49-60(57,58)37-9-11-40(41(26-37)53(55)56)48-34-13-16-50(3)17-14-34/h4-11,22-26,34,48H,12-21,27-28H2,1-3H3,(H,49,54)
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US Patent
0.0220 -14.5n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144853
PNG
(US8952157, 35 | US9303025, 35)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc(Cl)cc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H49Cl3N6O6S/c1-44(2)15-12-30(39(27-44)29-4-6-31(45)7-5-29)28-51-18-20-52(21-19-51)35-8-10-38(42(25-35)59-36-23-32(46)22-33(47)24-36)43(54)49-60(57,58)37-9-11-40(41(26-37)53(55)56)48-34-13-16-50(3)17-14-34/h4-11,22-26,34,48H,12-21,27-28H2,1-3H3,(H,49,54)
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US Patent
0.0220 -14.5n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144931
PNG
(US8952157, 113 | US9303025, 113)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(F)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H56ClFN6O7S/c1-48(2)19-14-34(43(31-48)33-6-8-35(49)9-7-33)32-53-22-24-55(25-23-53)39-10-12-42(46(29-39)63-40-5-3-4-36(50)28-40)47(57)52-64(60,61)41-11-13-44(45(30-41)56(58)59)51-37-15-20-54(21-16-37)38-17-26-62-27-18-38/h3-13,28-30,37-38,51H,14-27,31-32H2,1-2H3,(H,52,57)
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US Patent
0.0320 -14.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144931
PNG
(US8952157, 113 | US9303025, 113)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(F)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H56ClFN6O7S/c1-48(2)19-14-34(43(31-48)33-6-8-35(49)9-7-33)32-53-22-24-55(25-23-53)39-10-12-42(46(29-39)63-40-5-3-4-36(50)28-40)47(57)52-64(60,61)41-11-13-44(45(30-41)56(58)59)51-37-15-20-54(21-16-37)38-17-26-62-27-18-38/h3-13,28-30,37-38,51H,14-27,31-32H2,1-2H3,(H,52,57)
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US Patent
0.0320 -14.3n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144933
PNG
(US8952157, 115 | US9303025, 115)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H56Cl2N6O7S/c1-48(2)20-15-34(41(31-48)33-7-9-35(49)10-8-33)32-53-23-25-55(26-24-53)38-11-13-40(46(29-38)63-45-6-4-3-5-42(45)50)47(57)52-64(60,61)39-12-14-43(44(30-39)56(58)59)51-36-16-21-54(22-17-36)37-18-27-62-28-19-37/h3-14,29-30,36-37,51H,15-28,31-32H2,1-2H3,(H,52,57)
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US Patent
0.0420 -14.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144933
PNG
(US8952157, 115 | US9303025, 115)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H56Cl2N6O7S/c1-48(2)20-15-34(41(31-48)33-7-9-35(49)10-8-33)32-53-23-25-55(26-24-53)38-11-13-40(46(29-38)63-45-6-4-3-5-42(45)50)47(57)52-64(60,61)39-12-14-43(44(30-39)56(58)59)51-36-16-21-54(22-17-36)37-18-27-62-28-19-37/h3-14,29-30,36-37,51H,15-28,31-32H2,1-2H3,(H,52,57)
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US Patent
0.0420 -14.1n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144867
PNG
(US8952157, 49 | US9303025, 49)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(F)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClF2N6O7S/c1-48(2)19-14-33(40(30-48)32-6-8-34(49)9-7-32)31-54-22-24-56(25-23-54)37-10-12-39(45(28-37)64-44-5-3-4-41(50)46(44)51)47(58)53-65(61,62)38-11-13-42(43(29-38)57(59)60)52-35-15-20-55(21-16-35)36-17-26-63-27-18-36/h3-13,28-29,35-36,52H,14-27,30-31H2,1-2H3,(H,53,58)
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US Patent
0.0620 -13.9n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144867
PNG
(US8952157, 49 | US9303025, 49)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(F)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClF2N6O7S/c1-48(2)19-14-33(40(30-48)32-6-8-34(49)9-7-32)31-54-22-24-56(25-23-54)37-10-12-39(45(28-37)64-44-5-3-4-41(50)46(44)51)47(58)53-65(61,62)38-11-13-42(43(29-38)57(59)60)52-35-15-20-55(21-16-35)36-17-26-63-27-18-36/h3-13,28-29,35-36,52H,14-27,30-31H2,1-2H3,(H,53,58)
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US Patent
0.0620 -13.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144854
PNG
(US8952157, 36 | US9303025, 36)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50Cl2N6O6S/c1-44(2)18-15-31(39(28-44)30-7-9-32(45)10-8-30)29-50-21-23-51(24-22-50)35-11-13-38(42(26-35)58-36-6-4-5-33(46)25-36)43(53)48-59(56,57)37-12-14-40(41(27-37)52(54)55)47-34-16-19-49(3)20-17-34/h4-14,25-27,34,47H,15-24,28-29H2,1-3H3,(H,48,53)
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US Patent
0.0700 -13.8n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144854
PNG
(US8952157, 36 | US9303025, 36)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50Cl2N6O6S/c1-44(2)18-15-31(39(28-44)30-7-9-32(45)10-8-30)29-50-21-23-51(24-22-50)35-11-13-38(42(26-35)58-36-6-4-5-33(46)25-36)43(53)48-59(56,57)37-12-14-40(41(27-37)52(54)55)47-34-16-19-49(3)20-17-34/h4-14,25-27,34,47H,15-24,28-29H2,1-3H3,(H,48,53)
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US Patent
0.0700 -13.8n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144870
PNG
(US8952157, 52 | US9303025, 52)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H53Cl2N7O7S/c1-45(2)15-14-32(38(29-45)31-4-6-33(46)7-5-31)30-52-18-20-53(21-19-52)34-8-11-37(43(26-34)61-35-9-12-40(48)39(47)27-35)44(55)50-62(58,59)36-10-13-41(42(28-36)54(56)57)49-16-3-17-51-22-24-60-25-23-51/h4-13,26-28,49H,3,14-25,29-30,48H2,1-2H3,(H,50,55)
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US Patent
0.0720 -13.8n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144870
PNG
(US8952157, 52 | US9303025, 52)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H53Cl2N7O7S/c1-45(2)15-14-32(38(29-45)31-4-6-33(46)7-5-31)30-52-18-20-53(21-19-52)34-8-11-37(43(26-34)61-35-9-12-40(48)39(47)27-35)44(55)50-62(58,59)36-10-13-41(42(28-36)54(56)57)49-16-3-17-51-22-24-60-25-23-51/h4-13,26-28,49H,3,14-25,29-30,48H2,1-2H3,(H,50,55)
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US Patent
0.0720 -13.8n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144936
PNG
(US8952157, 118 | US9303025, 118)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(F)cc1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50ClFN6O6S/c1-44(2)19-16-31(39(28-44)30-4-6-32(45)7-5-30)29-50-22-24-51(25-23-50)35-10-14-38(42(26-35)58-36-11-8-33(46)9-12-36)43(53)48-59(56,57)37-13-15-40(41(27-37)52(54)55)47-34-17-20-49(3)21-18-34/h4-15,26-27,34,47H,16-25,28-29H2,1-3H3,(H,48,53)
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US Patent
0.151 -13.4n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144936
PNG
(US8952157, 118 | US9303025, 118)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(F)cc1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50ClFN6O6S/c1-44(2)19-16-31(39(28-44)30-4-6-32(45)7-5-30)29-50-22-24-51(25-23-50)35-10-14-38(42(26-35)58-36-11-8-33(46)9-12-36)43(53)48-59(56,57)37-13-15-40(41(27-37)52(54)55)47-34-17-20-49(3)21-18-34/h4-15,26-27,34,47H,16-25,28-29H2,1-3H3,(H,48,53)
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0.151 -13.4n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM47131
PNG
(US8952157, 217 | US8952157, 218 | US9303025, 218)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3C(F)(F)F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C51H57ClF3N7O7S/c1-50(2)17-11-35(42(31-50)33-3-5-36(52)6-4-33)32-59-21-23-61(24-22-59)39-7-9-41(47(28-39)69-48-27-34-12-18-56-45(34)30-43(48)51(53,54)55)49(63)58-70(66,67)40-8-10-44(46(29-40)62(64)65)57-37-13-19-60(20-14-37)38-15-25-68-26-16-38/h3-10,12,18,27-30,37-38,56-57H,11,13-17,19-26,31-32H2,1-2H3,(H,58,63)
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0.174 -13.3n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM47131
PNG
(US8952157, 217 | US8952157, 218 | US9303025, 218)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3C(F)(F)F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C51H57ClF3N7O7S/c1-50(2)17-11-35(42(31-50)33-3-5-36(52)6-4-33)32-59-21-23-61(24-22-59)39-7-9-41(47(28-39)69-48-27-34-12-18-56-45(34)30-43(48)51(53,54)55)49(63)58-70(66,67)40-8-10-44(46(29-40)62(64)65)57-37-13-19-60(20-14-37)38-15-25-68-26-16-38/h3-10,12,18,27-30,37-38,56-57H,11,13-17,19-26,31-32H2,1-2H3,(H,58,63)
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0.175 -13.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM47131
PNG
(US8952157, 217 | US8952157, 218 | US9303025, 218)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3C(F)(F)F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C51H57ClF3N7O7S/c1-50(2)17-11-35(42(31-50)33-3-5-36(52)6-4-33)32-59-21-23-61(24-22-59)39-7-9-41(47(28-39)69-48-27-34-12-18-56-45(34)30-43(48)51(53,54)55)49(63)58-70(66,67)40-8-10-44(46(29-40)62(64)65)57-37-13-19-60(20-14-37)38-15-25-68-26-16-38/h3-10,12,18,27-30,37-38,56-57H,11,13-17,19-26,31-32H2,1-2H3,(H,58,63)
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0.175 -13.3n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144927
PNG
(US8952157, 109 | US9303025, 109)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(N)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H50Cl2N6O7S/c1-43(2)15-14-31(38(27-43)30-6-8-32(45)9-7-30)28-50-18-20-51(21-19-50)34-10-12-37(41(25-34)59-35-5-3-4-33(46)24-35)42(53)49-60(56,57)36-11-13-39(40(26-36)52(54)55)48-29-44(47)16-22-58-23-17-44/h3-13,24-26,48H,14-23,27-29,47H2,1-2H3,(H,49,53)
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0.237 -13.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144927
PNG
(US8952157, 109 | US9303025, 109)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(N)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H50Cl2N6O7S/c1-43(2)15-14-31(38(27-43)30-6-8-32(45)9-7-30)28-50-18-20-51(21-19-50)34-10-12-37(41(25-34)59-35-5-3-4-33(46)24-35)42(53)49-60(56,57)36-11-13-39(40(26-36)52(54)55)48-29-44(47)16-22-58-23-17-44/h3-13,24-26,48H,14-23,27-29,47H2,1-2H3,(H,49,53)
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0.237 -13.1n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144881
PNG
(US8952157, 63 | US9303025, 63)
Show SMILES Cc1c[nH]c2cccc(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)c12
Show InChI InChI=1S/C48H56ClN7O7S/c1-33-31-51-42-6-4-7-44(46(33)42)63-45-28-37(55-22-20-54(21-23-55)32-35-16-17-48(2,3)30-40(35)34-8-10-36(49)11-9-34)12-14-39(45)47(57)52-64(60,61)38-13-15-41(43(29-38)56(58)59)50-18-5-19-53-24-26-62-27-25-53/h4,6-15,28-29,31,50-51H,5,16-27,30,32H2,1-3H3,(H,52,57)
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0.438 -12.8n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144881
PNG
(US8952157, 63 | US9303025, 63)
Show SMILES Cc1c[nH]c2cccc(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)c12
Show InChI InChI=1S/C48H56ClN7O7S/c1-33-31-51-42-6-4-7-44(46(33)42)63-45-28-37(55-22-20-54(21-23-55)32-35-16-17-48(2,3)30-40(35)34-8-10-36(49)11-9-34)12-14-39(45)47(57)52-64(60,61)38-13-15-41(43(29-38)56(58)59)50-18-5-19-53-24-26-62-27-25-53/h4,6-15,28-29,31,50-51H,5,16-27,30,32H2,1-3H3,(H,52,57)
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0.438 -12.8n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM47129
PNG
(US8952157, 159 | US9303025, 159)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(O)c1C)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H53ClN6O7S/c1-30-41(53)6-5-7-42(30)59-43-26-35(51-24-22-50(23-25-51)29-32-16-19-45(2,3)28-38(32)31-8-10-33(46)11-9-31)12-14-37(43)44(54)48-60(57,58)36-13-15-39(40(27-36)52(55)56)47-34-17-20-49(4)21-18-34/h5-15,26-27,34,47,53H,16-25,28-29H2,1-4H3,(H,48,54)
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0.526 -12.6n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM47129
PNG
(US8952157, 159 | US9303025, 159)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(O)c1C)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H53ClN6O7S/c1-30-41(53)6-5-7-42(30)59-43-26-35(51-24-22-50(23-25-51)29-32-16-19-45(2,3)28-38(32)31-8-10-33(46)11-9-31)12-14-37(43)44(54)48-60(57,58)36-13-15-39(40(27-36)52(55)56)47-34-17-20-49(4)21-18-34/h5-15,26-27,34,47,53H,16-25,28-29H2,1-4H3,(H,48,54)
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0.526 -12.6n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144884
PNG
(US8952157, 66 | US9303025, 66)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cc(C)c12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H54ClN7O6S/c1-31-29-49-41-6-5-7-43(45(31)41)61-44-26-36(54-24-22-53(23-25-54)30-33-16-19-47(2,3)28-39(33)32-8-10-34(48)11-9-32)12-14-38(44)46(56)51-62(59,60)37-13-15-40(42(27-37)55(57)58)50-35-17-20-52(4)21-18-35/h5-15,26-27,29,35,49-50H,16-25,28,30H2,1-4H3,(H,51,56)
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0.592 -12.6n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144884
PNG
(US8952157, 66 | US9303025, 66)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]cc(C)c12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H54ClN7O6S/c1-31-29-49-41-6-5-7-43(45(31)41)61-44-26-36(54-24-22-53(23-25-54)30-33-16-19-47(2,3)28-39(33)32-8-10-34(48)11-9-32)12-14-38(44)46(56)51-62(59,60)37-13-15-40(42(27-37)55(57)58)50-35-17-20-52(4)21-18-35/h5-15,26-27,29,35,49-50H,16-25,28,30H2,1-4H3,(H,51,56)
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0.592 -12.6n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144822
PNG
(US8952157, 3 | US9303025, 3)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]c(C)cc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H54ClN7O6S/c1-31-25-34-26-38(10-13-42(34)49-31)61-45-27-37(54-23-21-53(22-24-54)30-33-15-18-47(2,3)29-41(33)32-5-7-35(48)8-6-32)9-12-40(45)46(56)51-62(59,60)39-11-14-43(44(28-39)55(57)58)50-36-16-19-52(4)20-17-36/h5-14,25-28,36,49-50H,15-24,29-30H2,1-4H3,(H,51,56)
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0.827 -12.4n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144822
PNG
(US8952157, 3 | US9303025, 3)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]c(C)cc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H54ClN7O6S/c1-31-25-34-26-38(10-13-42(34)49-31)61-45-27-37(54-23-21-53(22-24-54)30-33-15-18-47(2,3)29-41(33)32-5-7-35(48)8-6-32)9-12-40(45)46(56)51-62(59,60)39-11-14-43(44(28-39)55(57)58)50-36-16-19-52(4)20-17-36/h5-14,25-28,36,49-50H,15-24,29-30H2,1-4H3,(H,51,56)
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0.827 -12.4n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144823
PNG
(US8952157, 4 | US9303025, 4)
Show SMILES Cc1cc2cc(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C48H56ClN7O7S/c1-33-27-36-28-39(10-13-43(36)51-33)63-46-29-38(55-21-19-54(20-22-55)32-35-15-16-48(2,3)31-42(35)34-5-7-37(49)8-6-34)9-12-41(46)47(57)52-64(60,61)40-11-14-44(45(30-40)56(58)59)50-17-4-18-53-23-25-62-26-24-53/h5-14,27-30,50-51H,4,15-26,31-32H2,1-3H3,(H,52,57)
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2.47 -11.7n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144823
PNG
(US8952157, 4 | US9303025, 4)
Show SMILES Cc1cc2cc(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)ccc2[nH]1
Show InChI InChI=1S/C48H56ClN7O7S/c1-33-27-36-28-39(10-13-43(36)51-33)63-46-29-38(55-21-19-54(20-22-55)32-35-15-16-48(2,3)31-42(35)34-5-7-37(49)8-6-34)9-12-41(46)47(57)52-64(60,61)40-11-14-44(45(30-40)56(58)59)50-17-4-18-53-23-25-62-26-24-53/h5-14,27-30,50-51H,4,15-26,31-32H2,1-3H3,(H,52,57)
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US Patent
2.47 -11.7n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair