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142 similar compounds to monomer 178886

Compile data set for download or QSAR
Wt: 844.4
BDBM145082
Wt: 913.5
BDBM145083
Wt: 844.4
BDBM145092
Wt: 911.5
BDBM144862
Wt: 893.4
BDBM144869
Wt: 906.9
BDBM144870
Wt: 903.8
BDBM145101
Wt: 887.4
BDBM145102
Wt: 875.4
BDBM144932
Wt: 891.9
BDBM144934
Wt: 910.5
BDBM144881
Wt: 910.5
BDBM144823
Wt: 880.4
BDBM144884
Wt: 926.3
BDBM144885
Wt: 875.4
BDBM144943
Displayed 1 to 15 (of 142 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 145082,145083,145092,144862,144869,144870,145101,145102,144932,144934,144881,144823,144884,144885,144943   
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))
BDBM144932
PNG
(US8952157, 114 | US9303025, 114)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(F)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52ClFN6O7S/c1-45(2)16-15-33(40(30-45)32-7-9-34(46)10-8-32)31-51-19-21-52(22-20-51)36-11-13-39(43(28-36)60-37-6-3-5-35(47)27-37)44(54)49-61(57,58)38-12-14-41(42(29-38)53(55)56)48-17-4-18-50-23-25-59-26-24-50/h3,5-14,27-29,48H,4,15-26,30-31H2,1-2H3,(H,49,54)
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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))
BDBM144932
PNG
(US8952157, 114 | US9303025, 114)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(F)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52ClFN6O7S/c1-45(2)16-15-33(40(30-45)32-7-9-34(46)10-8-32)31-51-19-21-52(22-20-51)36-11-13-39(43(28-36)60-37-6-3-5-35(47)27-37)44(54)49-61(57,58)38-12-14-41(42(29-38)53(55)56)48-17-4-18-50-23-25-59-26-24-50/h3,5-14,27-29,48H,4,15-26,30-31H2,1-2H3,(H,49,54)
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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))
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))
BDBM144869
PNG
(US8952157, 51 | US9303025, 51)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(F)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51ClF2N6O7S/c1-45(2)16-15-32(37(29-45)31-7-9-33(46)10-8-31)30-52-19-21-53(22-20-52)34-11-13-36(42(27-34)61-41-6-3-5-38(47)43(41)48)44(55)50-62(58,59)35-12-14-39(40(28-35)54(56)57)49-17-4-18-51-23-25-60-26-24-51/h3,5-14,27-28,49H,4,15-26,29-30H2,1-2H3,(H,50,55)
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US Patent
0.0660 -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))
BDBM144869
PNG
(US8952157, 51 | US9303025, 51)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(F)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51ClF2N6O7S/c1-45(2)16-15-32(37(29-45)31-7-9-33(46)10-8-31)30-52-19-21-53(22-20-52)34-11-13-36(42(27-34)61-41-6-3-5-38(47)43(41)48)44(55)50-62(58,59)35-12-14-39(40(28-35)54(56)57)49-17-4-18-51-23-25-60-26-24-51/h3,5-14,27-28,49H,4,15-26,29-30H2,1-2H3,(H,50,55)
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US Patent
0.0660 -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))
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))
BDBM144943
PNG
(US8952157, 125 | US9303025, 125)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52ClFN6O7S/c1-45(2)17-16-33(38(30-45)32-8-10-34(46)11-9-32)31-51-20-22-52(23-21-51)35-12-14-37(43(28-35)60-42-7-4-3-6-39(42)47)44(54)49-61(57,58)36-13-15-40(41(29-36)53(55)56)48-18-5-19-50-24-26-59-27-25-50/h3-4,6-15,28-29,48H,5,16-27,30-31H2,1-2H3,(H,49,54)
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US Patent
0.0750 -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))
BDBM144943
PNG
(US8952157, 125 | US9303025, 125)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52ClFN6O7S/c1-45(2)17-16-33(38(30-45)32-8-10-34(46)11-9-32)31-51-20-22-52(23-21-51)35-12-14-37(43(28-35)60-42-7-4-3-6-39(42)47)44(54)49-61(57,58)36-13-15-40(41(29-36)53(55)56)48-18-5-19-50-24-26-59-27-25-50/h3-4,6-15,28-29,48H,5,16-27,30-31H2,1-2H3,(H,49,54)
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US Patent
0.0750 -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))
BDBM144934
PNG
(US8952157, 116 | US9303025, 116)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52Cl2N6O7S/c1-45(2)17-16-33(38(30-45)32-8-10-34(46)11-9-32)31-51-20-22-52(23-21-51)35-12-14-37(43(28-35)60-42-7-4-3-6-39(42)47)44(54)49-61(57,58)36-13-15-40(41(29-36)53(55)56)48-18-5-19-50-24-26-59-27-25-50/h3-4,6-15,28-29,48H,5,16-27,30-31H2,1-2H3,(H,49,54)
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US Patent
0.123 -13.5n/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))
BDBM144934
PNG
(US8952157, 116 | US9303025, 116)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52Cl2N6O7S/c1-45(2)17-16-33(38(30-45)32-8-10-34(46)11-9-32)31-51-20-22-52(23-21-51)35-12-14-37(43(28-35)60-42-7-4-3-6-39(42)47)44(54)49-61(57,58)36-13-15-40(41(29-36)53(55)56)48-18-5-19-50-24-26-59-27-25-50/h3-4,6-15,28-29,48H,5,16-27,30-31H2,1-2H3,(H,49,54)
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US Patent
0.123 -13.5n/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))
BDBM145102
PNG
(US8952157, 292 | US9303025, 292)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClFN6O8S/c1-45(2)13-11-31(37(25-45)29-3-5-32(46)6-4-29)27-51-15-17-52(18-16-51)33-7-9-36(42(22-33)61-43-21-30-12-14-48-40(30)24-38(43)47)44(54)50-62(57,58)35-8-10-39(41(23-35)53(55)56)49-26-34-28-59-19-20-60-34/h3-10,12,14,21-24,34,48-49H,11,13,15-20,25-28H2,1-2H3,(H,50,54)
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US Patent
0.191 -13.2n/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))
BDBM145102
PNG
(US8952157, 292 | US9303025, 292)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClFN6O8S/c1-45(2)13-11-31(37(25-45)29-3-5-32(46)6-4-29)27-51-15-17-52(18-16-51)33-7-9-36(42(22-33)61-43-21-30-12-14-48-40(30)24-38(43)47)44(54)50-62(57,58)35-8-10-39(41(23-35)53(55)56)49-26-34-28-59-19-20-60-34/h3-10,12,14,21-24,34,48-49H,11,13,15-20,25-28H2,1-2H3,(H,50,54)
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US Patent
0.191 -13.2n/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))
BDBM145101
PNG
(US8952157, 291 | US9303025, 291)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2N6O8S/c1-45(2)13-11-31(37(25-45)29-3-5-32(46)6-4-29)27-51-15-17-52(18-16-51)33-7-9-36(42(22-33)61-43-21-30-12-14-48-40(30)24-38(43)47)44(54)50-62(57,58)35-8-10-39(41(23-35)53(55)56)49-26-34-28-59-19-20-60-34/h3-10,12,14,21-24,34,48-49H,11,13,15-20,25-28H2,1-2H3,(H,50,54)
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US Patent
0.273 -13.0n/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))
BDBM145101
PNG
(US8952157, 291 | US9303025, 291)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2N6O8S/c1-45(2)13-11-31(37(25-45)29-3-5-32(46)6-4-29)27-51-15-17-52(18-16-51)33-7-9-36(42(22-33)61-43-21-30-12-14-48-40(30)24-38(43)47)44(54)50-62(57,58)35-8-10-39(41(23-35)53(55)56)49-26-34-28-59-19-20-60-34/h3-10,12,14,21-24,34,48-49H,11,13,15-20,25-28H2,1-2H3,(H,50,54)
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US Patent
0.273 -13.0n/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))
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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US Patent
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))
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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US Patent
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))
BDBM145083
PNG
(US8952157, 273 | US9303025, 273)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccnc(N)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H57ClN8O7S/c1-47(2)17-11-33(41(30-47)32-3-5-34(48)6-4-32)31-53-21-23-55(24-22-53)37-7-9-40(44(27-37)63-38-12-18-50-45(49)28-38)46(57)52-64(60,61)39-8-10-42(43(29-39)56(58)59)51-35-13-19-54(20-14-35)36-15-25-62-26-16-36/h3-10,12,18,27-29,35-36,51H,11,13-17,19-26,30-31H2,1-2H3,(H2,49,50)(H,52,57)
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US Patent
0.516 -12.7n/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))
BDBM145083
PNG
(US8952157, 273 | US9303025, 273)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccnc(N)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H57ClN8O7S/c1-47(2)17-11-33(41(30-47)32-3-5-34(48)6-4-32)31-53-21-23-55(24-22-53)37-7-9-40(44(27-37)63-38-12-18-50-45(49)28-38)46(57)52-64(60,61)39-8-10-42(43(29-39)56(58)59)51-35-13-19-54(20-14-35)36-15-25-62-26-16-36/h3-10,12,18,27-29,35-36,51H,11,13-17,19-26,30-31H2,1-2H3,(H2,49,50)(H,52,57)
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0.516 -12.7n/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))
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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US Patent
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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US Patent
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))
BDBM144885
PNG
(US8952157, 67 | US9303025, 67)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc(Cl)ccc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51Cl3N6O7S/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)35-9-11-37(42(27-35)61-43-26-34(47)8-12-39(43)48)44(55)50-62(58,59)36-10-13-40(41(28-36)54(56)57)49-16-3-17-51-22-24-60-25-23-51/h4-13,26-28,49H,3,14-25,29-30H2,1-2H3,(H,50,55)
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US Patent
0.807 -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))
BDBM144885
PNG
(US8952157, 67 | US9303025, 67)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc(Cl)ccc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51Cl3N6O7S/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)35-9-11-37(42(27-35)61-43-26-34(47)8-12-39(43)48)44(55)50-62(58,59)36-10-13-40(41(28-36)54(56)57)49-16-3-17-51-22-24-60-25-23-51/h4-13,26-28,49H,3,14-25,29-30H2,1-2H3,(H,50,55)
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0.807 -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))
BDBM145092
PNG
(US8952157, 282 | US9303025, 282)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccnc(N)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H50ClN7O7S/c1-43(2)15-11-31(37(26-43)30-3-5-32(44)6-4-30)28-49-17-19-50(20-18-49)33-7-9-36(40(23-33)58-34-12-16-46-41(45)24-34)42(52)48-59(55,56)35-8-10-38(39(25-35)51(53)54)47-27-29-13-21-57-22-14-29/h3-10,12,16,23-25,29,47H,11,13-15,17-22,26-28H2,1-2H3,(H2,45,46)(H,48,52)
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US Patent
1.01 -12.3n/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))
BDBM145092
PNG
(US8952157, 282 | US9303025, 282)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccnc(N)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H50ClN7O7S/c1-43(2)15-11-31(37(26-43)30-3-5-32(44)6-4-30)28-49-17-19-50(20-18-49)33-7-9-36(40(23-33)58-34-12-16-46-41(45)24-34)42(52)48-59(55,56)35-8-10-38(39(25-35)51(53)54)47-27-29-13-21-57-22-14-29/h3-10,12,16,23-25,29,47H,11,13-15,17-22,26-28H2,1-2H3,(H2,45,46)(H,48,52)
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1.01 -12.3n/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))
BDBM145082
PNG
(US8952157, 272 | US9303025, 272)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(N)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H50ClN7O7S/c1-43(2)16-13-31(37(25-43)30-3-5-32(44)6-4-30)28-49-17-19-50(20-18-49)33-7-10-36(40(23-33)58-34-8-12-41(45)47-27-34)42(52)48-59(55,56)35-9-11-38(39(24-35)51(53)54)46-26-29-14-21-57-22-15-29/h3-12,23-24,27,29,46H,13-22,25-26,28H2,1-2H3,(H2,45,47)(H,48,52)
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US Patent
1.24 -12.1n/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))
BDBM145082
PNG
(US8952157, 272 | US9303025, 272)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(N)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H50ClN7O7S/c1-43(2)16-13-31(37(25-43)30-3-5-32(44)6-4-30)28-49-17-19-50(20-18-49)33-7-10-36(40(23-33)58-34-8-12-41(45)47-27-34)42(52)48-59(55,56)35-9-11-38(39(24-35)51(53)54)46-26-29-14-21-57-22-15-29/h3-12,23-24,27,29,46H,13-22,25-26,28H2,1-2H3,(H2,45,47)(H,48,52)
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1.24 -12.1n/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))
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.; 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))
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