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70 similar compounds to monomer 178639

Compile data set for download or QSAR
Wt: 868.4
BDBM144850
Wt: 931.4
BDBM144911
Wt: 916.9
BDBM144855
Wt: 925.4
BDBM144912
Wt: 931.4
BDBM144914
Wt: 902.4
BDBM144916
Wt: 902.4
BDBM144917
Wt: 902.4
BDBM144918
Wt: 879.4
BDBM144920
Wt: 882.4
BDBM144921
Wt: 920.5
BDBM144924
Wt: 813.3
BDBM144925
Wt: 878.4
BDBM144886
Wt: 855.3
BDBM144828
Wt: 910.4
BDBM144887
Displayed 1 to 15 (of 70 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 144850,144911,144855,144912,144914,144916,144917,144918,144920,144921,144924,144925,144886,144828,144887   
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))
BDBM144855
PNG
(US8952157, 37 | US9303025, 37)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51Cl2N7O7S/c1-51(2)25-26-61-38-12-15-41(32-7-9-34(47)10-8-32)33(27-38)31-53-21-23-54(24-22-53)37-11-14-42(45(29-37)62-39-6-4-5-35(48)28-39)46(56)50-63(59,60)40-13-16-43(44(30-40)55(57)58)49-36-17-19-52(3)20-18-36/h4-16,27-30,36,49H,17-26,31H2,1-3H3,(H,50,56)
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US Patent
0.00500 -15.4n/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))
BDBM144855
PNG
(US8952157, 37 | US9303025, 37)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51Cl2N7O7S/c1-51(2)25-26-61-38-12-15-41(32-7-9-34(47)10-8-32)33(27-38)31-53-21-23-54(24-22-53)37-11-14-42(45(29-37)62-39-6-4-5-35(48)28-39)46(56)50-63(59,60)40-13-16-43(44(30-40)55(57)58)49-36-17-19-52(3)20-18-36/h4-16,27-30,36,49H,17-26,31H2,1-3H3,(H,50,56)
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US Patent
0.00500 -15.4n/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))
BDBM144925
PNG
(US8952157, 107 | US9303025, 107)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(CO)c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H45ClN6O7S/c1-46(2)20-6-19-44-39-18-16-36(27-40(39)49(52)53)57(54,55)45-42(51)38-17-15-34(26-41(38)56-35-9-5-7-30(25-35)29-50)48-23-21-47(22-24-48)28-32-8-3-4-10-37(32)31-11-13-33(43)14-12-31/h3-5,7-18,25-27,44,50H,6,19-24,28-29H2,1-2H3,(H,45,51)
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US Patent
0.331 -12.9n/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))
BDBM144925
PNG
(US8952157, 107 | US9303025, 107)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(CO)c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H45ClN6O7S/c1-46(2)20-6-19-44-39-18-16-36(27-40(39)49(52)53)57(54,55)45-42(51)38-17-15-34(26-41(38)56-35-9-5-7-30(25-35)29-50)48-23-21-47(22-24-48)28-32-8-3-4-10-37(32)31-11-13-33(43)14-12-31/h3-5,7-18,25-27,44,50H,6,19-24,28-29H2,1-2H3,(H,45,51)
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US Patent
0.331 -12.9n/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))
BDBM144828
PNG
(US8952157, 9 | US9303025, 9)
Show SMILES OCc1cccc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)c1
Show InChI InChI=1S/C44H47ClN6O8S/c45-35-11-9-33(10-12-35)39-8-2-1-6-34(39)30-49-19-21-50(22-20-49)36-13-15-40(43(28-36)59-37-7-3-5-32(27-37)31-52)44(53)47-60(56,57)38-14-16-41(42(29-38)51(54)55)46-17-4-18-48-23-25-58-26-24-48/h1-3,5-16,27-29,46,52H,4,17-26,30-31H2,(H,47,53)
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US Patent
0.754 -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))
BDBM144828
PNG
(US8952157, 9 | US9303025, 9)
Show SMILES OCc1cccc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)c1
Show InChI InChI=1S/C44H47ClN6O8S/c45-35-11-9-33(10-12-35)39-8-2-1-6-34(39)30-49-19-21-50(22-20-49)36-13-15-40(43(28-36)59-37-7-3-5-32(27-37)31-52)44(53)47-60(56,57)38-14-16-41(42(29-38)51(54)55)46-17-4-18-48-23-25-58-26-24-48/h1-3,5-16,27-29,46,52H,4,17-26,30-31H2,(H,47,53)
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US Patent
0.754 -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))
BDBM144916
PNG
(US8952157, 98 | US9303025, 98)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(c1)-c1ccncc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H48ClN7O7S/c49-39-11-9-36(10-12-39)43-8-2-1-5-38(43)34-54-23-25-55(26-24-54)40-13-15-44(47(32-40)63-41-7-3-6-37(31-41)35-17-20-50-21-18-35)48(57)52-64(60,61)42-14-16-45(46(33-42)56(58)59)51-19-4-22-53-27-29-62-30-28-53/h1-3,5-18,20-21,31-33,51H,4,19,22-30,34H2,(H,52,57)
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US Patent
0.959 -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))
BDBM144916
PNG
(US8952157, 98 | US9303025, 98)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(c1)-c1ccncc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H48ClN7O7S/c49-39-11-9-36(10-12-39)43-8-2-1-5-38(43)34-54-23-25-55(26-24-54)40-13-15-44(47(32-40)63-41-7-3-6-37(31-41)35-17-20-50-21-18-35)48(57)52-64(60,61)42-14-16-45(46(33-42)56(58)59)51-19-4-22-53-27-29-62-30-28-53/h1-3,5-18,20-21,31-33,51H,4,19,22-30,34H2,(H,52,57)
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US Patent
0.959 -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))
BDBM144850
PNG
(US8952157, 32 | US9303025, 32)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(c1)N1CCOCC1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50ClN7O7S/c1-49(2)20-6-19-47-42-18-16-39(31-43(42)53(55)56)61(57,58)48-45(54)41-17-15-37(30-44(41)60-38-9-5-8-36(29-38)52-25-27-59-28-26-52)51-23-21-50(22-24-51)32-34-7-3-4-10-40(34)33-11-13-35(46)14-12-33/h3-5,7-18,29-31,47H,6,19-28,32H2,1-2H3,(H,48,54)
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US Patent
1.58 -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))
BDBM144850
PNG
(US8952157, 32 | US9303025, 32)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(c1)N1CCOCC1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H50ClN7O7S/c1-49(2)20-6-19-47-42-18-16-39(31-43(42)53(55)56)61(57,58)48-45(54)41-17-15-37(30-44(41)60-38-9-5-8-36(29-38)52-25-27-59-28-26-52)51-23-21-50(22-24-51)32-34-7-3-4-10-40(34)33-11-13-35(46)14-12-33/h3-5,7-18,29-31,47H,6,19-28,32H2,1-2H3,(H,48,54)
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US Patent
1.58 -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))
BDBM144886
PNG
(US8952157, 68 | US9303025, 68)
Show SMILES Cn1ccc2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cccc12
Show InChI InChI=1S/C46H48ClN7O7S/c1-50-21-18-39-42(50)8-4-9-44(39)61-45-30-36(53-24-22-52(23-25-53)32-34-6-2-3-7-38(34)33-10-12-35(47)13-11-33)14-16-40(45)46(55)49-62(58,59)37-15-17-41(43(31-37)54(56)57)48-19-5-20-51-26-28-60-29-27-51/h2-4,6-18,21,30-31,48H,5,19-20,22-29,32H2,1H3,(H,49,55)
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US Patent
5.93 -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))
BDBM144886
PNG
(US8952157, 68 | US9303025, 68)
Show SMILES Cn1ccc2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cccc12
Show InChI InChI=1S/C46H48ClN7O7S/c1-50-21-18-39-42(50)8-4-9-44(39)61-45-30-36(53-24-22-52(23-25-53)32-34-6-2-3-7-38(34)33-10-12-35(47)13-11-33)14-16-40(45)46(55)49-62(58,59)37-15-17-41(43(31-37)54(56)57)48-19-5-20-51-26-28-60-29-27-51/h2-4,6-18,21,30-31,48H,5,19-20,22-29,32H2,1H3,(H,49,55)
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US Patent
5.93 -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))
BDBM144921
PNG
(US8952157, 103 | US9303025, 103)
Show SMILES CNC(=O)c1cccc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)c1
Show InChI InChI=1S/C45H48ClN7O8S/c1-47-44(54)33-7-4-8-37(28-33)61-43-29-36(52-22-20-51(21-23-52)31-34-6-2-3-9-39(34)32-10-12-35(46)13-11-32)14-16-40(43)45(55)49-62(58,59)38-15-17-41(42(30-38)53(56)57)48-18-5-19-50-24-26-60-27-25-50/h2-4,6-17,28-30,48H,5,18-27,31H2,1H3,(H,47,54)(H,49,55)
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US Patent
6.75 -11.1n/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))
BDBM144921
PNG
(US8952157, 103 | US9303025, 103)
Show SMILES CNC(=O)c1cccc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)c1
Show InChI InChI=1S/C45H48ClN7O8S/c1-47-44(54)33-7-4-8-37(28-33)61-43-29-36(52-22-20-51(21-23-52)31-34-6-2-3-9-39(34)32-10-12-35(46)13-11-32)14-16-40(43)45(55)49-62(58,59)38-15-17-41(42(30-38)53(56)57)48-18-5-19-50-24-26-60-27-25-50/h2-4,6-17,28-30,48H,5,18-27,31H2,1H3,(H,47,54)(H,49,55)
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US Patent
6.75 -11.1n/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))
BDBM144887
PNG
(US8952157, 69 | US9303025, 69)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(c1)N1CCOCC1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H52ClN7O8S/c48-37-11-9-35(10-12-37)42-8-2-1-5-36(42)34-52-19-21-53(22-20-52)39-13-15-43(46(32-39)63-40-7-3-6-38(31-40)54-25-29-62-30-26-54)47(56)50-64(59,60)41-14-16-44(45(33-41)55(57)58)49-17-4-18-51-23-27-61-28-24-51/h1-3,5-16,31-33,49H,4,17-30,34H2,(H,50,56)
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US Patent
8.25 -11.0n/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))
BDBM144887
PNG
(US8952157, 69 | US9303025, 69)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(c1)N1CCOCC1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H52ClN7O8S/c48-37-11-9-35(10-12-37)42-8-2-1-5-36(42)34-52-19-21-53(22-20-52)39-13-15-43(46(32-39)63-40-7-3-6-38(31-40)54-25-29-62-30-26-54)47(56)50-64(59,60)41-14-16-44(45(33-41)55(57)58)49-17-4-18-51-23-27-61-28-24-51/h1-3,5-16,31-33,49H,4,17-30,34H2,(H,50,56)
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8.25 -11.0n/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))
BDBM144911
PNG
(US8952157, 93 | US9303025, 93)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(OCc2ccccc2)c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C50H51ClN6O8S/c51-40-16-14-38(15-17-40)45-13-5-4-10-39(45)35-55-24-26-56(27-25-55)41-18-20-46(49(32-41)65-43-12-6-11-42(33-43)64-36-37-8-2-1-3-9-37)50(58)53-66(61,62)44-19-21-47(48(34-44)57(59)60)52-22-7-23-54-28-30-63-31-29-54/h1-6,8-21,32-34,52H,7,22-31,35-36H2,(H,53,58)
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16.8 -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))
BDBM144911
PNG
(US8952157, 93 | US9303025, 93)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(OCc2ccccc2)c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C50H51ClN6O8S/c51-40-16-14-38(15-17-40)45-13-5-4-10-39(45)35-55-24-26-56(27-25-55)41-18-20-46(49(32-41)65-43-12-6-11-42(33-43)64-36-37-8-2-1-3-9-37)50(58)53-66(61,62)44-19-21-47(48(34-44)57(59)60)52-22-7-23-54-28-30-63-31-29-54/h1-6,8-21,32-34,52H,7,22-31,35-36H2,(H,53,58)
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16.8 -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))
BDBM144920
PNG
(US8952157, 102 | US9303025, 102)
Show SMILES Cn1cnc2cc(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc12
Show InChI InChI=1S/C45H47ClN8O7S/c1-50-31-48-41-28-36(12-16-42(41)50)61-44-27-35(53-21-19-52(20-22-53)30-33-5-2-3-6-38(33)32-7-9-34(46)10-8-32)11-14-39(44)45(55)49-62(58,59)37-13-15-40(43(29-37)54(56)57)47-17-4-18-51-23-25-60-26-24-51/h2-3,5-16,27-29,31,47H,4,17-26,30H2,1H3,(H,49,55)
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43.5 -10.0n/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))
BDBM144920
PNG
(US8952157, 102 | US9303025, 102)
Show SMILES Cn1cnc2cc(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc12
Show InChI InChI=1S/C45H47ClN8O7S/c1-50-31-48-41-28-36(12-16-42(41)50)61-44-27-35(53-21-19-52(20-22-53)30-33-5-2-3-6-38(33)32-7-9-34(46)10-8-32)11-14-39(44)45(55)49-62(58,59)37-13-15-40(43(29-37)54(56)57)47-17-4-18-51-23-25-60-26-24-51/h2-3,5-16,27-29,31,47H,4,17-26,30H2,1H3,(H,49,55)
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43.5 -10.0n/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))
BDBM144917
PNG
(US8952157, 99 | US9303025, 99)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(cc1)-c1ccncc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H48ClN7O7S/c49-39-10-6-37(7-11-39)43-5-2-1-4-38(43)34-54-24-26-55(27-25-54)40-12-16-44(47(32-40)63-41-13-8-35(9-14-41)36-18-21-50-22-19-36)48(57)52-64(60,61)42-15-17-45(46(33-42)56(58)59)51-20-3-23-53-28-30-62-31-29-53/h1-2,4-19,21-22,32-33,51H,3,20,23-31,34H2,(H,52,57)
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71.4 -9.74n/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))
BDBM144917
PNG
(US8952157, 99 | US9303025, 99)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(cc1)-c1ccncc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H48ClN7O7S/c49-39-10-6-37(7-11-39)43-5-2-1-4-38(43)34-54-24-26-55(27-25-54)40-12-16-44(47(32-40)63-41-13-8-35(9-14-41)36-18-21-50-22-19-36)48(57)52-64(60,61)42-15-17-45(46(33-42)56(58)59)51-20-3-23-53-28-30-62-31-29-53/h1-2,4-19,21-22,32-33,51H,3,20,23-31,34H2,(H,52,57)
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71.4 -9.74n/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))
BDBM144918
PNG
(US8952157, 100 | US9303025, 100)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(cc1)-c1cccnc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H48ClN7O7S/c49-39-12-8-36(9-13-39)43-7-2-1-5-38(43)34-54-23-25-55(26-24-54)40-14-18-44(47(31-40)63-41-15-10-35(11-16-41)37-6-3-20-50-33-37)48(57)52-64(60,61)42-17-19-45(46(32-42)56(58)59)51-21-4-22-53-27-29-62-30-28-53/h1-3,5-20,31-33,51H,4,21-30,34H2,(H,52,57)
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113 -9.47n/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))
BDBM144918
PNG
(US8952157, 100 | US9303025, 100)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(cc1)-c1cccnc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H48ClN7O7S/c49-39-12-8-36(9-13-39)43-7-2-1-5-38(43)34-54-23-25-55(26-24-54)40-14-18-44(47(31-40)63-41-15-10-35(11-16-41)37-6-3-20-50-33-37)48(57)52-64(60,61)42-17-19-45(46(32-42)56(58)59)51-21-4-22-53-27-29-62-30-28-53/h1-3,5-20,31-33,51H,4,21-30,34H2,(H,52,57)
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113 -9.47n/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))
BDBM144924
PNG
(US8952157, 106 | US9303025, 106)
Show SMILES CN(C)CCCc1c[nH]c2ccc(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc12
Show InChI InChI=1S/C49H54ClN7O7S/c1-54(2)21-5-7-36-32-52-45-17-14-40(29-44(36)45)64-48-28-39(56-24-22-55(23-25-56)33-37-6-3-4-8-42(37)35-9-11-38(50)12-10-35)13-16-43(48)49(58)53-65(61,62)41-15-18-46(47(30-41)57(59)60)51-31-34-19-26-63-27-20-34/h3-4,6,8-18,28-30,32,34,51-52H,5,7,19-27,31,33H2,1-2H3,(H,53,58)
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215 -9.09n/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))
BDBM144924
PNG
(US8952157, 106 | US9303025, 106)
Show SMILES CN(C)CCCc1c[nH]c2ccc(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc12
Show InChI InChI=1S/C49H54ClN7O7S/c1-54(2)21-5-7-36-32-52-45-17-14-40(29-44(36)45)64-48-28-39(56-24-22-55(23-25-56)33-37-6-3-4-8-42(37)35-9-11-38(50)12-10-35)13-16-43(48)49(58)53-65(61,62)41-15-18-46(47(30-41)57(59)60)51-31-34-19-26-63-27-20-34/h3-4,6,8-18,28-30,32,34,51-52H,5,7,19-27,31,33H2,1-2H3,(H,53,58)
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215 -9.09n/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))
BDBM144912
PNG
(US8952157, 94 | US9303025, 94)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(OCCN2CCOCC2)cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H53ClN6O9S/c49-38-7-5-36(6-8-38)43-4-2-1-3-37(43)34-53-19-21-54(22-20-53)39-9-15-44(47(31-39)64-41-12-10-40(11-13-41)63-30-25-52-23-28-62-29-24-52)48(56)51-65(59,60)42-14-16-45(46(32-42)55(57)58)50-33-35-17-26-61-27-18-35/h1-16,31-32,35,50H,17-30,33-34H2,(H,51,56)
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561 -8.52n/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))
BDBM144912
PNG
(US8952157, 94 | US9303025, 94)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(OCCN2CCOCC2)cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H53ClN6O9S/c49-38-7-5-36(6-8-38)43-4-2-1-3-37(43)34-53-19-21-54(22-20-53)39-9-15-44(47(31-39)64-41-12-10-40(11-13-41)63-30-25-52-23-28-62-29-24-52)48(56)51-65(59,60)42-14-16-45(46(32-42)55(57)58)50-33-35-17-26-61-27-18-35/h1-16,31-32,35,50H,17-30,33-34H2,(H,51,56)
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561 -8.52n/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))
BDBM144914
PNG
(US8952157, 96 | US9303025, 96)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C50H51ClN6O8S/c51-40-13-11-38(12-14-40)45-10-5-4-9-39(45)35-55-25-27-56(28-26-55)41-15-21-46(49(33-41)65-43-18-16-42(17-19-43)64-36-37-7-2-1-3-8-37)50(58)53-66(61,62)44-20-22-47(48(34-44)57(59)60)52-23-6-24-54-29-31-63-32-30-54/h1-5,7-22,33-34,52H,6,23-32,35-36H2,(H,53,58)
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>1.20E+3>-8.07n/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))
BDBM144914
PNG
(US8952157, 96 | US9303025, 96)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C50H51ClN6O8S/c51-40-13-11-38(12-14-40)45-10-5-4-9-39(45)35-55-25-27-56(28-26-55)41-15-21-46(49(33-41)65-43-18-16-42(17-19-43)64-36-37-7-2-1-3-8-37)50(58)53-66(61,62)44-20-22-47(48(34-44)57(59)60)52-23-6-24-54-29-31-63-32-30-54/h1-5,7-22,33-34,52H,6,23-32,35-36H2,(H,53,58)
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>1.20E+3>-8.07n/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