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285 similar compounds to monomer 178828

Compile data set for download or QSAR
Wt: 861.8
BDBM47130
Wt: 857.4
BDBM47129
Wt: 896.3
BDBM144853
Wt: 861.8
BDBM144854
Wt: 876.8
BDBM144858
Wt: 889.9
BDBM144859
Wt: 906.3
BDBM144860
Wt: 833.8
BDBM144861
Wt: 911.5
BDBM144862
Wt: 906.3
BDBM144864
Wt: 875.9
BDBM144865
Wt: 917.9
BDBM144866
Wt: 933.5
BDBM144867
Wt: 881.4
BDBM144873
Wt: 880.4
BDBM144822
Displayed 1 to 15 (of 285 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 47129,47130,144822,144853,144854,144858,144859,144860,144861,144862,144864,144865,144866,144867,144873   
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))
BDBM144859
PNG
(US8952157, 41 | US9303025, 41)
Show SMILES CC(C)N1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H54Cl2N6O6S/c1-31(2)52-21-18-35(19-22-52)49-41-16-14-37(28-42(41)54(56)57)61(58,59)50-45(55)38-15-13-36(27-44(38)60-43-8-6-5-7-40(43)48)53-25-23-51(24-26-53)30-33-17-20-46(3,4)29-39(33)32-9-11-34(47)12-10-32/h5-16,27-28,31,35,49H,17-26,29-30H2,1-4H3,(H,50,55)
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US Patent
0.0270 -14.4n/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))
BDBM144859
PNG
(US8952157, 41 | US9303025, 41)
Show SMILES CC(C)N1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H54Cl2N6O6S/c1-31(2)52-21-18-35(19-22-52)49-41-16-14-37(28-42(41)54(56)57)61(58,59)50-45(55)38-15-13-36(27-44(38)60-43-8-6-5-7-40(43)48)53-25-23-51(24-26-53)30-33-17-20-46(3,4)29-39(33)32-9-11-34(47)12-10-32/h5-16,27-28,31,35,49H,17-26,29-30H2,1-4H3,(H,50,55)
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US Patent
0.0270 -14.4n/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))
BDBM144860
PNG
(US8952157, 42 | US9303025, 42)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Br)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50BrClN6O6S/c1-44(2)19-16-31(37(28-44)30-8-10-32(46)11-9-30)29-50-22-24-51(25-23-50)34-12-14-36(42(26-34)58-41-7-5-4-6-38(41)45)43(53)48-59(56,57)35-13-15-39(40(27-35)52(54)55)47-33-17-20-49(3)21-18-33/h4-15,26-27,33,47H,16-25,28-29H2,1-3H3,(H,48,53)
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US Patent
0.0300 -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))
BDBM144860
PNG
(US8952157, 42 | US9303025, 42)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Br)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50BrClN6O6S/c1-44(2)19-16-31(37(28-44)30-8-10-32(46)11-9-30)29-50-22-24-51(25-23-50)34-12-14-36(42(26-34)58-41-7-5-4-6-38(41)45)43(53)48-59(56,57)35-13-15-39(40(27-35)52(54)55)47-33-17-20-49(3)21-18-33/h4-15,26-27,33,47H,16-25,28-29H2,1-3H3,(H,48,53)
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US Patent
0.0300 -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))
BDBM144861
PNG
(US8952157, 43 | US9303025, 43)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CCCC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H46Cl2N6O6S/c1-47-20-18-32(19-21-47)45-38-17-15-34(27-39(38)50(52)53)57(54,55)46-42(51)36-16-14-33(26-41(36)56-40-9-5-4-8-37(40)44)49-24-22-48(23-25-49)28-30-6-2-3-7-35(30)29-10-12-31(43)13-11-29/h4-5,8-17,26-27,32,45H,2-3,6-7,18-25,28H2,1H3,(H,46,51)
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US Patent
0.0340 -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))
BDBM144861
PNG
(US8952157, 43 | US9303025, 43)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CCCC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H46Cl2N6O6S/c1-47-20-18-32(19-21-47)45-38-17-15-34(27-39(38)50(52)53)57(54,55)46-42(51)36-16-14-33(26-41(36)56-40-9-5-4-8-37(40)44)49-24-22-48(23-25-49)28-30-6-2-3-7-35(30)29-10-12-31(43)13-11-29/h4-5,8-17,26-27,32,45H,2-3,6-7,18-25,28H2,1H3,(H,46,51)
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US Patent
0.0340 -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))
BDBM144862
PNG
(US8952157, 44 | US9303025, 44)
Show SMILES Cc1n[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/C47H55ClN8O7S/c1-32-45-41(51-50-32)6-4-7-43(45)63-44-28-36(55-22-20-54(21-23-55)31-34-16-17-47(2,3)30-39(34)33-8-10-35(48)11-9-33)12-14-38(44)46(57)52-64(60,61)37-13-15-40(42(29-37)56(58)59)49-18-5-19-53-24-26-62-27-25-53/h4,6-15,28-29,49H,5,16-27,30-31H2,1-3H3,(H,50,51)(H,52,57)
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US Patent
0.0360 -14.2n/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))
BDBM144862
PNG
(US8952157, 44 | US9303025, 44)
Show SMILES Cc1n[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/C47H55ClN8O7S/c1-32-45-41(51-50-32)6-4-7-43(45)63-44-28-36(55-22-20-54(21-23-55)31-34-16-17-47(2,3)30-39(34)33-8-10-35(48)11-9-33)12-14-38(44)46(57)52-64(60,61)37-13-15-40(42(29-37)56(58)59)49-18-5-19-53-24-26-62-27-25-53/h4,6-15,28-29,49H,5,16-27,30-31H2,1-3H3,(H,50,51)(H,52,57)
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US Patent
0.0360 -14.2n/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))
BDBM144864
PNG
(US8952157, 46 | US9303025, 46)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Br)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50BrClN6O6S/c1-44(2)18-15-31(39(28-44)30-7-9-33(46)10-8-30)29-50-21-23-51(24-22-50)35-11-13-38(42(26-35)58-36-6-4-5-32(45)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
0.0470 -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))
BDBM144864
PNG
(US8952157, 46 | US9303025, 46)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Br)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50BrClN6O6S/c1-44(2)18-15-31(39(28-44)30-7-9-33(46)10-8-30)29-50-21-23-51(24-22-50)35-11-13-38(42(26-35)58-36-6-4-5-32(45)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
0.0470 -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))
BDBM47130
PNG
(US8952157, 168 | US8952157, 34 | US9303025, 34)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50Cl2N6O6S/c1-44(2)19-16-31(37(28-44)30-8-10-32(45)11-9-30)29-50-22-24-51(25-23-50)34-12-14-36(42(26-34)58-41-7-5-4-6-38(41)46)43(53)48-59(56,57)35-13-15-39(40(27-35)52(54)55)47-33-17-20-49(3)21-18-33/h4-15,26-27,33,47H,16-25,28-29H2,1-3H3,(H,48,53)
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US Patent
0.0490 -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))
BDBM47130
PNG
(US8952157, 168 | US8952157, 34 | US9303025, 34)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50Cl2N6O6S/c1-44(2)19-16-31(37(28-44)30-8-10-32(45)11-9-30)29-50-22-24-51(25-23-50)34-12-14-36(42(26-34)58-41-7-5-4-6-38(41)46)43(53)48-59(56,57)35-13-15-39(40(27-35)52(54)55)47-33-17-20-49(3)21-18-33/h4-15,26-27,33,47H,16-25,28-29H2,1-3H3,(H,48,53)
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0.0490 -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))
BDBM144865
PNG
(US8952157, 47 | US9303025, 47)
Show SMILES CCN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H52Cl2N6O6S/c1-4-50-21-18-34(19-22-50)48-40-16-14-36(28-41(40)53(55)56)60(57,58)49-44(54)37-15-13-35(27-43(37)59-42-8-6-5-7-39(42)47)52-25-23-51(24-26-52)30-32-17-20-45(2,3)29-38(32)31-9-11-33(46)12-10-31/h5-16,27-28,34,48H,4,17-26,29-30H2,1-3H3,(H,49,54)
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0.0500 -14.0n/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))
BDBM144865
PNG
(US8952157, 47 | US9303025, 47)
Show SMILES CCN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H52Cl2N6O6S/c1-4-50-21-18-34(19-22-50)48-40-16-14-36(28-41(40)53(55)56)60(57,58)49-44(54)37-15-13-35(27-43(37)59-42-8-6-5-7-39(42)47)52-25-23-51(24-26-52)30-32-17-20-45(2,3)29-38(32)31-9-11-33(46)12-10-31/h5-16,27-28,34,48H,4,17-26,29-30H2,1-3H3,(H,49,54)
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0.0500 -14.0n/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))
BDBM144866
PNG
(US8952157, 48 | US9303025, 48)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H58Cl2N6O6S/c1-46(2)21-20-33(39(30-46)32-12-14-34(49)15-13-32)31-54-22-24-55(25-23-54)36-16-18-38(44(26-36)62-43-11-9-8-10-40(43)50)45(57)52-63(60,61)37-17-19-41(42(27-37)56(58)59)51-35-28-47(3,4)53(7)48(5,6)29-35/h8-19,26-27,35,51H,20-25,28-31H2,1-7H3,(H,52,57)
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US Patent
0.0530 -14.0n/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))
BDBM144866
PNG
(US8952157, 48 | US9303025, 48)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H58Cl2N6O6S/c1-46(2)21-20-33(39(30-46)32-12-14-34(49)15-13-32)31-54-22-24-55(25-23-54)36-16-18-38(44(26-36)62-43-11-9-8-10-40(43)50)45(57)52-63(60,61)37-17-19-41(42(27-37)56(58)59)51-35-28-47(3,4)53(7)48(5,6)29-35/h8-19,26-27,35,51H,20-25,28-31H2,1-7H3,(H,52,57)
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US Patent
0.0530 -14.0n/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))
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))
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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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))
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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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))
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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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))
BDBM144873
PNG
(US8952157, 55 | US9303025, 55)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]nc(C)c12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H53ClN8O6S/c1-30-44-40(50-49-30)6-5-7-42(44)61-43-26-35(54-24-22-53(23-25-54)29-32-16-19-46(2,3)28-38(32)31-8-10-33(47)11-9-31)12-14-37(43)45(56)51-62(59,60)36-13-15-39(41(27-36)55(57)58)48-34-17-20-52(4)21-18-34/h5-15,26-27,34,48H,16-25,28-29H2,1-4H3,(H,49,50)(H,51,56)
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0.0900 -13.7n/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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144873
PNG
(US8952157, 55 | US9303025, 55)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc2[nH]nc(C)c12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H53ClN8O6S/c1-30-44-40(50-49-30)6-5-7-42(44)61-43-26-35(54-24-22-53(23-25-54)29-32-16-19-46(2,3)28-38(32)31-8-10-33(47)11-9-31)12-14-37(43)45(56)51-62(59,60)36-13-15-39(41(27-36)55(57)58)48-34-17-20-52(4)21-18-34/h5-15,26-27,34,48H,16-25,28-29H2,1-4H3,(H,49,50)(H,51,56)
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0.0900 -13.7n/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))
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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US Patent
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))
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))
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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US Patent
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))
BDBM47130
PNG
(US8952157, 168 | US8952157, 34 | US9303025, 34)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50Cl2N6O6S/c1-44(2)19-16-31(37(28-44)30-8-10-32(45)11-9-30)29-50-22-24-51(25-23-50)34-12-14-36(42(26-34)58-41-7-5-4-6-38(41)46)43(53)48-59(56,57)35-13-15-39(40(27-35)52(54)55)47-33-17-20-49(3)21-18-33/h4-15,26-27,33,47H,16-25,28-29H2,1-3H3,(H,48,53)
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US Patent
28.3 -10.3n/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