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428 similar compounds to monomer 178645

Compile data set for download or QSAR
Wt: 861.8
BDBM47130
Wt: 893.8
BDBM47127
Wt: 857.4
BDBM47129
Wt: 1004.5
BDBM47131
Wt: 909.8
BDBM144966
Wt: 895.8
BDBM144967
Wt: 884.4
BDBM145036
Wt: 844.4
BDBM145082
Wt: 913.5
BDBM145083
Wt: 908.2
BDBM145084
Wt: 884.4
BDBM144970
Wt: 875.9
BDBM144971
Wt: 877.4
BDBM144972
Wt: 954.5
BDBM145037
Wt: 966.5
BDBM145039
Displayed 1 to 15 (of 428 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 47130,47127,47129,47131,144966,144967,145036,145082,145083,145084,144970,144971,144972,145037,145039   
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))
BDBM144970
PNG
(US8952157, 154 | US9303025, 154)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H51ClFN7O6S/c1-46(2)16-12-32(38(28-46)30-4-6-33(47)7-5-30)29-53-20-22-54(23-21-53)35-8-10-37(43(25-35)61-44-24-31-13-17-49-41(31)27-39(44)48)45(56)51-62(59,60)36-9-11-40(42(26-36)55(57)58)50-34-14-18-52(3)19-15-34/h4-11,13,17,24-27,34,49-50H,12,14-16,18-23,28-29H2,1-3H3,(H,51,56)
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US Patent
0.0120 -14.9n/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))
BDBM144970
PNG
(US8952157, 154 | US9303025, 154)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc2cc[nH]c2cc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H51ClFN7O6S/c1-46(2)16-12-32(38(28-46)30-4-6-33(47)7-5-30)29-53-20-22-54(23-21-53)35-8-10-37(43(25-35)61-44-24-31-13-17-49-41(31)27-39(44)48)45(56)51-62(59,60)36-9-11-40(42(26-36)55(57)58)50-34-14-18-52(3)19-15-34/h4-11,13,17,24-27,34,49-50H,12,14-16,18-23,28-29H2,1-3H3,(H,51,56)
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0.0120 -14.9n/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))
BDBM47127
PNG
(US8952157, 149 | US9303025, 149)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51Cl2FN6O6S/c1-45(2)18-17-32(37(29-45)31-9-11-33(46)12-10-31)30-52-23-25-53(26-24-52)34-13-15-36(42(27-34)60-41-8-5-7-38(47)43(41)48)44(55)50-61(58,59)35-14-16-39(40(28-35)54(56)57)49-19-6-22-51-20-3-4-21-51/h5,7-16,27-28,49H,3-4,6,17-26,29-30H2,1-2H3,(H,50,55)
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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))
BDBM47127
PNG
(US8952157, 149 | US9303025, 149)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51Cl2FN6O6S/c1-45(2)18-17-32(37(29-45)31-9-11-33(46)12-10-31)30-52-23-25-53(26-24-52)34-13-15-36(42(27-34)60-41-8-5-7-38(47)43(41)48)44(55)50-61(58,59)35-14-16-39(40(28-35)54(56)57)49-19-6-22-51-20-3-4-21-51/h5,7-16,27-28,49H,3-4,6,17-26,29-30H2,1-2H3,(H,50,55)
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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))
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))
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))
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.

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))
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))
BDBM144966
PNG
(US8952157, 148 | US9303025, 148)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51Cl2FN6O7S/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
0.106 -13.6n/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))
BDBM144966
PNG
(US8952157, 148 | US9303025, 148)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51Cl2FN6O7S/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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0.106 -13.6n/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))
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))
BDBM145039
PNG
(US8952157, 227 | US9303025, 227)
Show SMILES COc1cc2[nH]ccc2cc1Oc1cc(ccc1C(=O)NS(=O)(=O)c1ccc(NC2CCN(CC2)C2CCOCC2)c(c1)[N+]([O-])=O)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C51H60ClN7O8S/c1-51(2)18-12-36(43(32-51)34-4-6-37(52)7-5-34)33-56-22-24-58(25-23-56)40-8-10-42(47(29-40)67-49-28-35-13-19-53-45(35)31-48(49)65-3)50(60)55-68(63,64)41-9-11-44(46(30-41)59(61)62)54-38-14-20-57(21-15-38)39-16-26-66-27-17-39/h4-11,13,19,28-31,38-39,53-54H,12,14-18,20-27,32-33H2,1-3H3,(H,55,60)
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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))
BDBM145039
PNG
(US8952157, 227 | US9303025, 227)
Show SMILES COc1cc2[nH]ccc2cc1Oc1cc(ccc1C(=O)NS(=O)(=O)c1ccc(NC2CCN(CC2)C2CCOCC2)c(c1)[N+]([O-])=O)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C51H60ClN7O8S/c1-51(2)18-12-36(43(32-51)34-4-6-37(52)7-5-34)33-56-22-24-58(25-23-56)40-8-10-42(47(29-40)67-49-28-35-13-19-53-45(35)31-48(49)65-3)50(60)55-68(63,64)41-9-11-44(46(30-41)59(61)62)54-38-14-20-57(21-15-38)39-16-26-66-27-17-39/h4-11,13,19,28-31,38-39,53-54H,12,14-18,20-27,32-33H2,1-3H3,(H,55,60)
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US Patent
0.174 -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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US Patent
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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US Patent
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))
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.; 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))
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))
BDBM144967
PNG
(US8952157, 150 | US9303025, 150)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H49Cl2FN6O7S/c1-44(2)15-14-31(36(28-44)30-6-8-32(45)9-7-30)29-51-18-20-52(21-19-51)33-10-12-35(41(26-33)60-40-5-3-4-37(46)42(40)47)43(54)49-61(57,58)34-11-13-38(39(27-34)53(55)56)48-16-17-50-22-24-59-25-23-50/h3-13,26-27,48H,14-25,28-29H2,1-2H3,(H,49,54)
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0.759 -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))
BDBM144967
PNG
(US8952157, 150 | US9303025, 150)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H49Cl2FN6O7S/c1-44(2)15-14-31(36(28-44)30-6-8-32(45)9-7-30)29-51-18-20-52(21-19-51)33-10-12-35(41(26-33)60-40-5-3-4-37(46)42(40)47)43(54)49-61(57,58)34-11-13-38(39(27-34)53(55)56)48-16-17-50-22-24-59-25-23-50/h3-13,26-27,48H,14-25,28-29H2,1-2H3,(H,49,54)
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0.759 -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))
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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US Patent
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))
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.; 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))
BDBM145037
PNG
(US8952157, 225 | US9303025, 225)
Show SMILES CC(=O)Nc1cccc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NC3CCN(CC3)C3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)c1
Show InChI InChI=1S/C50H60ClN7O8S/c1-34(59)52-39-5-4-6-42(29-39)66-48-30-41(57-25-23-55(24-26-57)33-36-15-20-50(2,3)32-45(36)35-7-9-37(51)10-8-35)11-13-44(48)49(60)54-67(63,64)43-12-14-46(47(31-43)58(61)62)53-38-16-21-56(22-17-38)40-18-27-65-28-19-40/h4-14,29-31,38,40,53H,15-28,32-33H2,1-3H3,(H,52,59)(H,54,60)
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3.28 -11.6n/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))
BDBM145037
PNG
(US8952157, 225 | US9303025, 225)
Show SMILES CC(=O)Nc1cccc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NC3CCN(CC3)C3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)c1
Show InChI InChI=1S/C50H60ClN7O8S/c1-34(59)52-39-5-4-6-42(29-39)66-48-30-41(57-25-23-55(24-26-57)33-36-15-20-50(2,3)32-45(36)35-7-9-37(51)10-8-35)11-13-44(48)49(60)54-67(63,64)43-12-14-46(47(31-43)58(61)62)53-38-16-21-56(22-17-38)40-18-27-65-28-19-40/h4-14,29-31,38,40,53H,15-28,32-33H2,1-3H3,(H,52,59)(H,54,60)
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3.28 -11.6n/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))
BDBM145036
PNG
(US8952157, 224 | US9303025, 224)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(NC(C)=O)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H54ClN7O7S/c1-31(55)48-36-6-5-7-38(26-36)61-44-27-37(53-24-22-52(23-25-53)30-33-16-19-46(2,3)29-41(33)32-8-10-34(47)11-9-32)12-14-40(44)45(56)50-62(59,60)39-13-15-42(43(28-39)54(57)58)49-35-17-20-51(4)21-18-35/h5-15,26-28,35,49H,16-25,29-30H2,1-4H3,(H,48,55)(H,50,56)
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US Patent
5.60 -11.2n/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))
BDBM145036
PNG
(US8952157, 224 | US9303025, 224)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(NC(C)=O)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H54ClN7O7S/c1-31(55)48-36-6-5-7-38(26-36)61-44-27-37(53-24-22-52(23-25-53)30-33-16-19-46(2,3)29-41(33)32-8-10-34(47)11-9-32)12-14-40(44)45(56)50-62(59,60)39-13-15-42(43(28-39)54(57)58)49-35-17-20-51(4)21-18-35/h5-15,26-28,35,49H,16-25,29-30H2,1-4H3,(H,48,55)(H,50,56)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
5.60 -11.2n/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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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