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428 similar compounds to monomer 60818

Compile data set for download or QSAR
Wt: 933.5
BDBM60607
Wt: 1004.5
BDBM47131
Wt: 844.4
BDBM145082
Wt: 913.5
BDBM145083
Wt: 908.2
BDBM145084
Wt: 884.4
BDBM144970
Wt: 966.5
BDBM145039
Wt: 901.8
BDBM145086
Wt: 884.4
BDBM144973
Wt: 954.5
BDBM145042
Wt: 844.4
BDBM145089
Wt: 954.5
BDBM145045
Wt: 971.0
BDBM145091
Wt: 844.4
BDBM145092
Wt: 845.4
BDBM145093
Displayed 1 to 15 (of 427 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 60607,47131,145082,145083,145084,144970,145039,145086,144973,145042,145089,145045,145091,145092,145093   
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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US Patent
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))
BDBM145045
PNG
(US8952157, 234 | US9303025, 234)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H57ClFN7O7S/c1-50(2)17-15-35(42(31-50)33-3-5-36(51)6-4-33)32-56-19-21-57(22-20-56)39-11-13-41(47(28-39)66-48-27-34-16-18-53-45(34)30-43(48)52)49(60)55-67(63,64)40-12-14-44(46(29-40)59(61)62)54-37-7-9-38(10-8-37)58-23-25-65-26-24-58/h3-6,11-14,16,18,27-30,37-38,53-54H,7-10,15,17,19-26,31-32H2,1-2H3,(H,55,60)
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US Patent
0.0990 -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))
BDBM145045
PNG
(US8952157, 234 | US9303025, 234)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H57ClFN7O7S/c1-50(2)17-15-35(42(31-50)33-3-5-36(51)6-4-33)32-56-19-21-57(22-20-56)39-11-13-41(47(28-39)66-48-27-34-16-18-53-45(34)30-43(48)52)49(60)55-67(63,64)40-12-14-44(46(29-40)59(61)62)54-37-7-9-38(10-8-37)58-23-25-65-26-24-58/h3-6,11-14,16,18,27-30,37-38,53-54H,7-10,15,17,19-26,31-32H2,1-2H3,(H,55,60)
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US Patent
0.0990 -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))
BDBM145091
PNG
(US8952157, 281 | US9303025, 281)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]cc(Cl)c4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H57Cl2N7O7S/c1-50(2)18-13-34(43(30-50)33-3-5-35(51)6-4-33)32-56-21-23-58(24-22-56)38-7-10-41(48(27-38)66-39-8-11-45-42(28-39)44(52)31-53-45)49(60)55-67(63,64)40-9-12-46(47(29-40)59(61)62)54-36-14-19-57(20-15-36)37-16-25-65-26-17-37/h3-12,27-29,31,36-37,53-54H,13-26,30,32H2,1-2H3,(H,55,60)
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US Patent
0.111 -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))
BDBM145091
PNG
(US8952157, 281 | US9303025, 281)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]cc(Cl)c4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H57Cl2N7O7S/c1-50(2)18-13-34(43(30-50)33-3-5-35(51)6-4-33)32-56-21-23-58(24-22-56)38-7-10-41(48(27-38)66-39-8-11-45-42(28-39)44(52)31-53-45)49(60)55-67(63,64)40-9-12-46(47(29-40)59(61)62)54-36-14-19-57(20-15-36)37-16-25-65-26-17-37/h3-12,27-29,31,36-37,53-54H,13-26,30,32H2,1-2H3,(H,55,60)
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US Patent
0.111 -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))
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.; 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
0.174 -13.3n/an/an/an/an/an/a25



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

US Patent


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


US Patent US8952157 (2015)


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


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

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))
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


(Mus musculus (Mouse))
BDBM60607
PNG
(US9125913, 321)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC45CC6CC(C[C@@](O)(C6)C4)C5)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C51H57ClN6O7S/c1-49(2)15-13-37(43(29-49)35-3-5-38(52)6-4-35)30-56-17-19-57(20-18-56)39-7-10-42(47(23-39)65-40-8-11-44-36(22-40)14-16-53-44)48(59)55-66(63,64)41-9-12-45(46(24-41)58(61)62)54-32-50-25-33-21-34(26-50)28-51(60,27-33)31-50/h3-12,14,16,22-24,33-34,53-54,60H,13,15,17-21,25-32H2,1-2H3,(H,55,59)/t33?,34?,50?,51-
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0.689n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144973
PNG
(US8952157, 157 | US9303025, 157)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H51ClFN7O6S/c1-46(2)18-14-31(38(28-46)30-4-6-32(47)7-5-30)29-53-22-24-54(25-23-53)34-8-10-37(43(26-34)61-42-13-12-39-36(44(42)48)15-19-49-39)45(56)51-62(59,60)35-9-11-40(41(27-35)55(57)58)50-33-16-20-52(3)21-17-33/h4-13,15,19,26-27,33,49-50H,14,16-18,20-25,28-29H2,1-3H3,(H,51,56)
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0.720 -12.5n/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))
BDBM144973
PNG
(US8952157, 157 | US9303025, 157)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H51ClFN7O6S/c1-46(2)18-14-31(38(28-46)30-4-6-32(47)7-5-30)29-53-22-24-54(25-23-53)34-8-10-37(43(26-34)61-42-13-12-39-36(44(42)48)15-19-49-39)45(56)51-62(59,60)35-9-11-40(41(27-35)55(57)58)50-33-16-20-52(3)21-17-33/h4-13,15,19,26-27,33,49-50H,14,16-18,20-25,28-29H2,1-3H3,(H,51,56)
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0.720 -12.5n/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))
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))
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))
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.

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))
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.

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))
BDBM145042
PNG
(US8952157, 231 | US9303025, 231)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2n(ccc2c1)C(=O)OC(C)(C)C)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C50H60ClN7O8S/c1-49(2,3)66-48(60)57-24-20-35-29-39(14-18-44(35)57)65-46-30-38(56-27-25-55(26-28-56)33-36-19-21-50(4,5)32-42(36)34-9-11-37(51)12-10-34)13-16-41(46)47(59)53-67(63,64)40-15-17-43(45(31-40)58(61)62)52-22-8-23-54(6)7/h9-18,20,24,29-31,52H,8,19,21-23,25-28,32-33H2,1-7H3,(H,53,59)
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36.9 -10.1n/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))
BDBM145042
PNG
(US8952157, 231 | US9303025, 231)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2n(ccc2c1)C(=O)OC(C)(C)C)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C50H60ClN7O8S/c1-49(2,3)66-48(60)57-24-20-35-29-39(14-18-44(35)57)65-46-30-38(56-27-25-55(26-28-56)33-36-19-21-50(4,5)32-42(36)34-9-11-37(51)12-10-34)13-16-41(46)47(59)53-67(63,64)40-15-17-43(45(31-40)58(61)62)52-22-8-23-54(6)7/h9-18,20,24,29-31,52H,8,19,21-23,25-28,32-33H2,1-7H3,(H,53,59)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
36.9 -10.1n/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-XL


(Mus musculus (Mouse))
BDBM60607
PNG
(US9125913, 321)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC45CC6CC(C[C@@](O)(C6)C4)C5)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C51H57ClN6O7S/c1-49(2)15-13-37(43(29-49)35-3-5-38(52)6-4-35)30-56-17-19-57(20-18-56)39-7-10-42(47(23-39)65-40-8-11-44-36(22-40)14-16-53-44)48(59)55-66(63,64)41-9-12-45(46(24-41)58(61)62)54-32-50-25-33-21-34(26-50)28-51(60,27-33)31-50/h3-12,14,16,22-24,33-34,53-54,60H,13,15,17-21,25-32H2,1-2H3,(H,55,59)/t33?,34?,50?,51-
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
>660n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair