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142 similar compounds to monomer 178837

Compile data set for download or QSAR
Wt: 844.4
BDBM145082
Wt: 908.2
BDBM145084
Wt: 875.9
BDBM144971
Wt: 877.4
BDBM144972
Wt: 901.8
BDBM145086
Wt: 844.4
BDBM145089
Wt: 844.4
BDBM145092
Wt: 845.4
BDBM145093
Wt: 911.5
BDBM144862
Wt: 935.5
BDBM145094
Wt: 933.5
BDBM144867
Wt: 885.4
BDBM145049
Wt: 915.4
BDBM145051
Wt: 877.8
BDBM144927
Wt: 915.4
BDBM145052
Displayed 1 to 15 (of 142 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 145082,145084,144971,144972,145086,145089,145092,145093,144862,145094,144867,145049,145051,144927,145052   
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))
BDBM144972
PNG
(US8952157, 156 | US9303025, 156)
Show SMILES CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc(F)c2F)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C45H51ClF2N6O6S/c1-45(2)18-15-32(37(27-45)31-7-9-33(46)10-8-31)29-52-21-23-53(24-22-52)34-11-13-36(42(25-34)60-41-6-4-5-38(47)43(41)48)44(55)50-61(58,59)35-12-14-39(40(26-35)54(56)57)49-28-30-16-19-51(3)20-17-30/h4-14,25-26,30,49H,15-24,27-29H2,1-3H3,(H,50,55)
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US Patent
0.0350 -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))
BDBM144972
PNG
(US8952157, 156 | US9303025, 156)
Show SMILES CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc(F)c2F)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C45H51ClF2N6O6S/c1-45(2)18-15-32(37(27-45)31-7-9-33(46)10-8-31)29-52-21-23-53(24-22-52)34-11-13-36(42(25-34)60-41-6-4-5-38(47)43(41)48)44(55)50-61(58,59)35-12-14-39(40(26-35)54(56)57)49-28-30-16-19-51(3)20-17-30/h4-14,25-26,30,49H,15-24,27-29H2,1-3H3,(H,50,55)
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US Patent
0.0350 -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))
BDBM144971
PNG
(US8952157, 155 | US9303025, 155)
Show SMILES CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc(Cl)c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C45H52Cl2N6O6S/c1-45(2)18-15-33(40(28-45)32-7-9-34(46)10-8-32)30-51-21-23-52(24-22-51)36-11-13-39(43(26-36)59-37-6-4-5-35(47)25-37)44(54)49-60(57,58)38-12-14-41(42(27-38)53(55)56)48-29-31-16-19-50(3)20-17-31/h4-14,25-27,31,48H,15-24,28-30H2,1-3H3,(H,49,54)
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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))
BDBM144971
PNG
(US8952157, 155 | US9303025, 155)
Show SMILES CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc(Cl)c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C45H52Cl2N6O6S/c1-45(2)18-15-33(40(28-45)32-7-9-34(46)10-8-32)30-51-21-23-52(24-22-51)36-11-13-39(43(26-36)59-37-6-4-5-35(47)25-37)44(54)49-60(57,58)38-12-14-41(42(27-38)53(55)56)48-29-31-16-19-50(3)20-17-31/h4-14,25-27,31,48H,15-24,28-30H2,1-3H3,(H,49,54)
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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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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))
BDBM145049
PNG
(US8952157, 238 | US9303025, 238)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClFN6O7S/c1-46(2)15-11-33(38(27-46)31-3-5-34(47)6-4-31)29-52-17-19-53(20-18-52)35-7-9-37(43(24-35)61-44-23-32-12-16-49-41(32)26-39(44)48)45(55)51-62(58,59)36-8-10-40(42(25-36)54(56)57)50-28-30-13-21-60-22-14-30/h3-10,12,16,23-26,30,49-50H,11,13-15,17-22,27-29H2,1-2H3,(H,51,55)
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US Patent
0.124 -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))
BDBM145049
PNG
(US8952157, 238 | US9303025, 238)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClFN6O7S/c1-46(2)15-11-33(38(27-46)31-3-5-34(47)6-4-31)29-52-17-19-53(20-18-52)35-7-9-37(43(24-35)61-44-23-32-12-16-49-41(32)26-39(44)48)45(55)51-62(58,59)36-8-10-40(42(25-36)54(56)57)50-28-30-13-21-60-22-14-30/h3-10,12,16,23-26,30,49-50H,11,13-15,17-22,27-29H2,1-2H3,(H,51,55)
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US Patent
0.124 -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))
BDBM145052
PNG
(US8952157, 241 | US9303025, 241)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(CO)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H52ClFN6O8S/c1-46(2)13-11-33(38(27-46)31-3-5-34(48)6-4-31)28-53-17-19-54(20-18-53)35-7-9-37(43(24-35)63-44-23-32-12-16-50-41(32)26-39(44)49)45(57)52-64(60,61)36-8-10-40(42(25-36)55(58)59)51-29-47(30-56)14-21-62-22-15-47/h3-10,12,16,23-26,50-51,56H,11,13-15,17-22,27-30H2,1-2H3,(H,52,57)
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US Patent
0.141 -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))
BDBM145052
PNG
(US8952157, 241 | US9303025, 241)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(CO)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H52ClFN6O8S/c1-46(2)13-11-33(38(27-46)31-3-5-34(48)6-4-31)28-53-17-19-54(20-18-53)35-7-9-37(43(24-35)63-44-23-32-12-16-50-41(32)26-39(44)49)45(57)52-64(60,61)36-8-10-40(42(25-36)55(58)59)51-29-47(30-56)14-21-62-22-15-47/h3-10,12,16,23-26,50-51,56H,11,13-15,17-22,27-30H2,1-2H3,(H,52,57)
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US Patent
0.141 -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))
BDBM145086
PNG
(US8952157, 276 | US9303025, 276)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50Cl2N6O7S/c1-46(2)15-11-33(38(27-46)31-3-5-34(47)6-4-31)29-52-17-19-53(20-18-52)35-7-9-37(43(24-35)61-44-23-32-12-16-49-41(32)26-39(44)48)45(55)51-62(58,59)36-8-10-40(42(25-36)54(56)57)50-28-30-13-21-60-22-14-30/h3-10,12,16,23-26,30,49-50H,11,13-15,17-22,27-29H2,1-2H3,(H,51,55)
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US Patent
0.199 -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))
BDBM145086
PNG
(US8952157, 276 | US9303025, 276)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50Cl2N6O7S/c1-46(2)15-11-33(38(27-46)31-3-5-34(47)6-4-31)29-52-17-19-53(20-18-52)35-7-9-37(43(24-35)61-44-23-32-12-16-49-41(32)26-39(44)48)45(55)51-62(58,59)36-8-10-40(42(25-36)54(56)57)50-28-30-13-21-60-22-14-30/h3-10,12,16,23-26,30,49-50H,11,13-15,17-22,27-29H2,1-2H3,(H,51,55)
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US Patent
0.199 -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))
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))
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))
BDBM145051
PNG
(US8952157, 240 | US9303025, 240)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(CO)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H52ClFN6O8S/c1-47(2)15-11-33(38(27-47)30-3-5-34(48)6-4-30)28-53-17-19-54(20-18-53)35-7-9-37(44(24-35)63-45-23-32-12-16-50-41(32)26-39(45)49)46(57)52-64(60,61)36-8-10-40(43(25-36)55(58)59)51-42(29-56)31-13-21-62-22-14-31/h3-10,12,16,23-26,31,42,50-51,56H,11,13-15,17-22,27-29H2,1-2H3,(H,52,57)
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0.912 -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))
BDBM145051
PNG
(US8952157, 240 | US9303025, 240)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(CO)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H52ClFN6O8S/c1-47(2)15-11-33(38(27-47)30-3-5-34(48)6-4-30)28-53-17-19-54(20-18-53)35-7-9-37(44(24-35)63-45-23-32-12-16-50-41(32)26-39(45)49)46(57)52-64(60,61)36-8-10-40(43(25-36)55(58)59)51-42(29-56)31-13-21-62-22-14-31/h3-10,12,16,23-26,31,42,50-51,56H,11,13-15,17-22,27-29H2,1-2H3,(H,52,57)
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0.912 -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))
BDBM145084
PNG
(US8952157, 274 | US9303025, 274)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cncc(Br)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H48BrClN6O7S/c1-43(2)14-11-31(38(24-43)30-3-5-33(45)6-4-30)28-49-15-17-50(18-16-49)34-7-9-37(41(22-34)58-35-21-32(44)26-46-27-35)42(52)48-59(55,56)36-8-10-39(40(23-36)51(53)54)47-25-29-12-19-57-20-13-29/h3-10,21-23,26-27,29,47H,11-20,24-25,28H2,1-2H3,(H,48,52)
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0.936 -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))
BDBM145084
PNG
(US8952157, 274 | US9303025, 274)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cncc(Br)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H48BrClN6O7S/c1-43(2)14-11-31(38(24-43)30-3-5-33(45)6-4-30)28-49-15-17-50(18-16-49)34-7-9-37(41(22-34)58-35-21-32(44)26-46-27-35)42(52)48-59(55,56)36-8-10-39(40(23-36)51(53)54)47-25-29-12-19-57-20-13-29/h3-10,21-23,26-27,29,47H,11-20,24-25,28H2,1-2H3,(H,48,52)
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0.936 -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))
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.

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))
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.

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))
BDBM145089
PNG
(US8952157, 279 | US9303025, 279)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cncc(N)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H50ClN7O7S/c1-43(2)14-11-31(38(24-43)30-3-5-32(44)6-4-30)28-49-15-17-50(18-16-49)34-7-9-37(41(22-34)58-35-21-33(45)26-46-27-35)42(52)48-59(55,56)36-8-10-39(40(23-36)51(53)54)47-25-29-12-19-57-20-13-29/h3-10,21-23,26-27,29,47H,11-20,24-25,28,45H2,1-2H3,(H,48,52)
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1.70 -12.0n/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))
BDBM145089
PNG
(US8952157, 279 | US9303025, 279)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cncc(N)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H50ClN7O7S/c1-43(2)14-11-31(38(24-43)30-3-5-32(44)6-4-30)28-49-15-17-50(18-16-49)34-7-9-37(41(22-34)58-35-21-33(45)26-46-27-35)42(52)48-59(55,56)36-8-10-39(40(23-36)51(53)54)47-25-29-12-19-57-20-13-29/h3-10,21-23,26-27,29,47H,11-20,24-25,28,45H2,1-2H3,(H,48,52)
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1.70 -12.0n/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))
BDBM145093
PNG
(US8952157, 283 | US9303025, 283)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(O)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H49ClN6O8S/c1-43(2)16-13-31(37(25-43)30-3-5-32(44)6-4-30)28-48-17-19-49(20-18-48)33-7-10-36(40(23-33)58-34-8-12-41(51)46-27-34)42(52)47-59(55,56)35-9-11-38(39(24-35)50(53)54)45-26-29-14-21-57-22-15-29/h3-12,23-24,27,29,45H,13-22,25-26,28H2,1-2H3,(H,46,51)(H,47,52)
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17.2 -10.6n/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))
BDBM145093
PNG
(US8952157, 283 | US9303025, 283)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(O)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H49ClN6O8S/c1-43(2)16-13-31(37(25-43)30-3-5-32(44)6-4-30)28-48-17-19-49(20-18-48)33-7-10-36(40(23-33)58-34-8-12-41(51)46-27-34)42(52)47-59(55,56)35-9-11-38(39(24-35)50(53)54)45-26-29-14-21-57-22-15-29/h3-12,23-24,27,29,45H,13-22,25-26,28H2,1-2H3,(H,46,51)(H,47,52)
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17.2 -10.6n/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))
BDBM145094
PNG
(US8952157, 284 | US9303025, 284)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(OCc4ccccc4)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H55ClN6O8S/c1-50(2)21-18-38(44(30-50)37-8-10-39(51)11-9-37)33-55-22-24-56(25-23-55)40-12-15-43(47(28-40)65-41-13-17-48(53-32-41)64-34-36-6-4-3-5-7-36)49(58)54-66(61,62)42-14-16-45(46(29-42)57(59)60)52-31-35-19-26-63-27-20-35/h3-17,28-29,32,35,52H,18-27,30-31,33-34H2,1-2H3,(H,54,58)
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79.3 -9.68n/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))
BDBM145094
PNG
(US8952157, 284 | US9303025, 284)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(OCc4ccccc4)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H55ClN6O8S/c1-50(2)21-18-38(44(30-50)37-8-10-39(51)11-9-37)33-55-22-24-56(25-23-55)40-12-15-43(47(28-40)65-41-13-17-48(53-32-41)64-34-36-6-4-3-5-7-36)49(58)54-66(61,62)42-14-16-45(46(29-42)57(59)60)52-31-35-19-26-63-27-20-35/h3-17,28-29,32,35,52H,18-27,30-31,33-34H2,1-2H3,(H,54,58)
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79.3 -9.68n/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