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Found 2652 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' AND taxid = 9606   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM144940
PNG
(US8952157, 122 | US9303025, 122)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50ClFN6O6S/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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<0.00100n/an/an/an/an/an/an/an/a



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))
BDBM189804
PNG
(US9174982, 378)
Show SMILES COC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O8S/c1-45(59-2)15-11-38(31-3-5-34(46)6-4-31)33(26-45)29-51-17-19-52(20-18-51)35-7-9-39(42(24-35)61-36-23-32-12-16-47-43(32)49-28-36)44(54)50-62(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-60-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.00100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189803
PNG
(US9174982, 377)
Show SMILES COC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H54ClN7O8S/c1-46(57)16-12-31(13-17-46)28-50-41-11-9-38(26-42(41)55(58)59)64(60,61)52-45(56)40-10-8-36(25-43(40)63-37-24-33-15-19-49-44(33)51-29-37)54-22-20-53(21-23-54)30-34-27-47(2,62-3)18-14-39(34)32-4-6-35(48)7-5-32/h4-11,15,19,24-26,29,31,50,57H,12-14,16-18,20-23,27-28,30H2,1-3H3,(H,49,51)(H,52,56)
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<0.00100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM144940
PNG
(US8952157, 122 | US9303025, 122)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1F)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H50ClFN6O6S/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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<0.00100n/an/an/an/an/an/an/an/a



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))
BDBM189797
PNG
(US9174982, 371 | US9174982, 376)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4CCC(C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H53ClN8O7S/c1-45(2)14-12-33(39(25-45)31-4-6-34(47)7-5-31)29-53-18-20-54(21-19-53)35-8-9-38(41(23-35)62-36-22-32-13-17-48-42(32)50-27-36)44(56)52-63(60,61)37-24-40(55(58)59)43(51-28-37)49-26-30-10-15-46(3,57)16-11-30/h4-9,13,17,22-24,27-28,30,57H,10-12,14-16,18-21,25-26,29H2,1-3H3,(H,48,50)(H,49,51)(H,52,56)
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<0.00100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189797
PNG
(US9174982, 371 | US9174982, 376)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4CCC(C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H53ClN8O7S/c1-45(2)14-12-33(39(25-45)31-4-6-34(47)7-5-31)29-53-18-20-54(21-19-53)35-8-9-38(41(23-35)62-36-22-32-13-17-48-42(32)50-27-36)44(56)52-63(60,61)37-24-40(55(58)59)43(51-28-37)49-26-30-10-15-46(3,57)16-11-30/h4-9,13,17,22-24,27-28,30,57H,10-12,14-16,18-21,25-26,29H2,1-3H3,(H,48,50)(H,49,51)(H,52,56)
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<0.00100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189799
PNG
(US9174982, 373)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(=O)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN8O8S/c1-44(2)13-11-31(37(26-44)29-3-5-32(45)6-4-29)28-50-15-17-51(18-16-50)33-7-9-36(40(24-33)61-34-23-30-12-14-46-41(30)47-27-34)42(54)49-62(58,59)35-8-10-38(39(25-35)53(56)57)48-43(55)52-19-21-60-22-20-52/h3-10,12,14,23-25,27H,11,13,15-22,26,28H2,1-2H3,(H,46,47)(H,48,55)(H,49,54)
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<0.00100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189800
PNG
(US9174982, 374)
Show SMILES COCC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C48H56ClN7O7S/c1-48(2)18-16-36(42(27-48)34-8-10-37(49)11-9-34)30-54-20-22-55(23-21-54)38-12-14-41(45(25-38)63-39-24-35-17-19-50-46(35)52-29-39)47(57)53-64(60,61)40-13-15-43(44(26-40)56(58)59)51-28-32-4-6-33(7-5-32)31-62-3/h8-15,17,19,24-26,29,32-33,51H,4-7,16,18,20-23,27-28,30-31H2,1-3H3,(H,50,52)(H,53,57)
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<0.00100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189567
PNG
(US9174982, 129)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCN(CC4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H54ClF2N7O7S/c1-48(2)15-11-35(42(26-48)33-3-5-36(49)6-4-33)30-55-19-21-57(22-20-55)37-7-9-41(45(24-37)65-39-23-34-12-16-52-46(34)53-29-39)47(59)54-66(62,63)40-8-10-44(43(25-40)58(60)61)64-31-32-13-17-56(18-14-32)38(27-50)28-51/h3-10,12,16,23-25,29,32,38H,11,13-15,17-22,26-28,30-31H2,1-2H3,(H,52,53)(H,54,59)
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0.00200n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
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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0.00500n/an/an/an/an/an/an/an/a



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))
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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0.00500n/an/an/an/an/an/an/an/a



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))
BDBM145154
PNG
(US8952157, 345 | US9303025, 345)
Show SMILES COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc(N)c(Cl)c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C45H53Cl2N7O7S/c1-45(2)17-16-31(38(25-45)30-6-8-32(46)9-7-30)28-52-18-20-53(21-19-52)33-10-14-37(42(22-33)61-35-23-39(47)43(48)50-27-35)44(55)51-62(58,59)36-13-15-40(41(24-36)54(56)57)49-26-29-4-11-34(60-3)12-5-29/h6-10,13-15,22-24,27,29,34,49H,4-5,11-12,16-21,25-26,28H2,1-3H3,(H2,48,50)(H,51,55)
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0.00500n/an/an/an/an/an/an/an/a



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))
BDBM145154
PNG
(US8952157, 345 | US9303025, 345)
Show SMILES COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc(N)c(Cl)c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C45H53Cl2N7O7S/c1-45(2)17-16-31(38(25-45)30-6-8-32(46)9-7-30)28-52-18-20-53(21-19-52)33-10-14-37(42(22-33)61-35-23-39(47)43(48)50-27-35)44(55)51-62(58,59)36-13-15-40(41(24-36)54(56)57)49-26-29-4-11-34(60-3)12-5-29/h6-10,13-15,22-24,27,29,34,49H,4-5,11-12,16-21,25-26,28H2,1-3H3,(H2,48,50)(H,51,55)
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0.00500n/an/an/an/an/an/an/an/a



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))
BDBM145152
PNG
(US8952157, 343 | US9303025, 343)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc(N)c(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H49Cl2N9O6S/c1-42(2)13-12-29(35(25-42)28-4-6-30(43)7-5-28)27-50-16-18-51(19-17-50)31-8-10-34(39(22-31)59-32-23-36(44)40(45)46-26-32)41(54)48-60(57,58)33-9-11-37(38(24-33)53(55)56)47-52-20-14-49(3)15-21-52/h4-11,22-24,26,47H,12-21,25,27H2,1-3H3,(H2,45,46)(H,48,54)
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0.00900n/an/an/an/an/an/an/an/a



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))
BDBM145152
PNG
(US8952157, 343 | US9303025, 343)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc(N)c(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H49Cl2N9O6S/c1-42(2)13-12-29(35(25-42)28-4-6-30(43)7-5-28)27-50-16-18-51(19-17-50)31-8-10-34(39(22-31)59-32-23-36(44)40(45)46-26-32)41(54)48-60(57,58)33-9-11-37(38(24-33)53(55)56)47-52-20-14-49(3)15-21-52/h4-11,22-24,26,47H,12-21,25,27H2,1-3H3,(H2,45,46)(H,48,54)
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0.00900n/an/an/an/an/an/an/an/a



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))
BDBM145106
PNG
(US8952157, 296 | US9303025, 296)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H48ClF2N5O8S/c1-45(2)13-11-32(37(27-45)30-3-5-33(47)6-4-30)28-52-17-19-53(20-18-52)34-7-9-36(42(24-34)62-43-23-31-12-16-50-39(31)26-38(43)48)44(55)51-63(58,59)35-8-10-41(40(25-35)54(56)57)61-29-46(49)14-21-60-22-15-46/h3-10,12,16,23-26,50H,11,13-15,17-22,27-29H2,1-2H3,(H,51,55)
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<0.0100n/an/an/an/an/an/an/an/a



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))
BDBM145111
PNG
(US8952157, 302 | US9303025, 302)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(F)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H49ClFN7O7S/c1-43(2)14-11-30(36(24-43)29-3-5-31(44)6-4-29)27-50-15-17-51(18-16-50)32-7-9-35(40(21-32)59-33-22-37(45)41(46)48-26-33)42(53)49-60(56,57)34-8-10-38(39(23-34)52(54)55)47-25-28-12-19-58-20-13-28/h3-10,21-23,26,28,47H,11-20,24-25,27H2,1-2H3,(H2,46,48)(H,49,53)
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<0.0100n/an/an/an/an/an/an/an/a



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))
BDBM189499
PNG
(US9174982, 51)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOC(C)(C)C4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H53ClN6O8S/c1-46(2)16-13-34(40(27-46)32-5-7-35(48)8-6-32)29-52-18-20-53(21-19-52)36-9-11-39(43(24-36)62-37-23-33-14-17-49-44(33)50-28-37)45(55)51-63(58,59)38-10-12-42(41(25-38)54(56)57)60-30-31-15-22-61-47(3,4)26-31/h5-12,14,17,23-25,28,31H,13,15-16,18-22,26-27,29-30H2,1-4H3,(H,49,50)(H,51,55)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189501
PNG
(US9174982, 53)
Show SMILES CC(=O)N1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H51ClN8O7S/c1-30(56)53-18-14-35(15-19-53)50-41-11-9-38(26-42(41)55(58)59)63(60,61)51-45(57)39-10-8-36(25-43(39)62-37-24-32-13-17-48-44(32)49-28-37)54-22-20-52(21-23-54)29-33-12-16-46(2,3)27-40(33)31-4-6-34(47)7-5-31/h4-11,13,17,24-26,28,35,50H,12,14-16,18-23,27,29H2,1-3H3,(H,48,49)(H,51,57)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189503
PNG
(US9174982, 55)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H53ClN8O7S/c1-46(2)14-12-34(40(29-46)32-4-6-35(47)7-5-32)31-53-18-20-54(21-19-53)36-8-10-39(43(27-36)62-37-26-33-13-16-49-44(33)50-30-37)45(56)51-63(59,60)38-9-11-41(42(28-38)55(57)58)48-15-3-17-52-22-24-61-25-23-52/h4-11,13,16,26-28,30,48H,3,12,14-15,17-25,29,31H2,1-2H3,(H,49,50)(H,51,56)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189506
PNG
(US9174982, 58)
Show SMILES COCCOCCS(=O)(=O)c1ccc(cc1Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H49Cl2N5O8S2/c1-44(2)14-12-32(38(27-44)30-4-6-33(45)7-5-30)29-50-16-18-51(19-17-50)34-8-10-37(40(25-34)59-35-24-31-13-15-47-42(31)48-28-35)43(52)49-61(55,56)36-9-11-41(39(46)26-36)60(53,54)23-22-58-21-20-57-3/h4-11,13,15,24-26,28H,12,14,16-23,27,29H2,1-3H3,(H,47,48)(H,49,52)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189508
PNG
(US9174982, 60)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H56ClN7O8S/c1-49(2)17-15-35(43(30-49)33-3-5-36(50)6-4-33)32-54-19-21-55(22-20-54)38-9-13-42(46(28-38)65-40-27-34-16-18-51-47(34)52-31-40)48(58)53-66(61,62)41-12-14-45(44(29-41)57(59)60)64-39-10-7-37(8-11-39)56-23-25-63-26-24-56/h3-6,9,12-14,16,18,27-29,31,37,39H,7-8,10-11,15,17,19-26,30,32H2,1-2H3,(H,51,52)(H,53,58)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189510
PNG
(US9174982, 62)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC#N)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H43ClN8O6S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-49-18-20-50(21-19-49)32-8-10-35(39(23-32)57-33-22-29-13-17-46-40(29)47-26-33)41(52)48-58(55,56)34-9-11-37(45-16-3-15-44)38(24-34)51(53)54/h4-11,13,17,22-24,26,45H,3,12,14,16,18-21,25,27H2,1-2H3,(H,46,47)(H,48,52)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189481
PNG
(US9174982, 33 | US9174982, 63)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O8S/c1-48(2)28-42(32-3-5-35(49)6-4-32)34(31-64-48)30-54-17-19-55(20-18-54)38-11-13-41(45(26-38)65-39-25-33-15-16-50-46(33)51-29-39)47(58)53-66(61,62)40-12-14-43(44(27-40)57(59)60)52-36-7-9-37(10-8-36)56-21-23-63-24-22-56/h3-6,11-16,25-27,29,36-37,52H,7-10,17-24,28,30-31H2,1-2H3,(H,50,51)(H,53,58)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189512
PNG
(US9174982, 64)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N(CC4CC4)CC4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C53H63ClN8O6S/c1-53(2)21-19-39(47(30-53)37-7-9-40(54)10-8-37)34-59-23-25-60(26-24-59)43-15-17-46(50(28-43)68-44-27-38-20-22-55-51(38)56-31-44)52(63)58-69(66,67)45-16-18-48(49(29-45)62(64)65)57-41-11-13-42(14-12-41)61(32-35-3-4-35)33-36-5-6-36/h7-10,15-18,20,22,27-29,31,35-36,41-42,57H,3-6,11-14,19,21,23-26,30,32-34H2,1-2H3,(H,55,56)(H,58,63)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189513
PNG
(US9174982, 65)
Show SMILES CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C46H53ClN8O6S/c1-46(2)16-12-34(40(27-46)32-4-6-35(47)7-5-32)30-53-20-22-54(23-21-53)36-8-10-39(43(25-36)61-37-24-33-13-17-48-44(33)50-29-37)45(56)51-62(59,60)38-9-11-41(42(26-38)55(57)58)49-28-31-14-18-52(3)19-15-31/h4-11,13,17,24-26,29,31,49H,12,14-16,18-23,27-28,30H2,1-3H3,(H,48,50)(H,51,56)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189514
PNG
(US9174982, 66)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCN4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H49ClN8O7S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)27-51-16-18-52(19-17-51)34-7-9-37(41(22-34)60-35-21-30-12-14-47-42(30)49-26-35)43(54)50-61(57,58)36-8-10-39(40(23-36)53(55)56)48-25-33-28-59-20-15-46-33/h3-10,12,14,21-23,26,33,46,48H,11,13,15-20,24-25,27-28H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189515
PNG
(US9174982, 67)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H48ClN9O7S/c1-43(2)25-37(29-4-6-32(44)7-5-29)31(28-59-43)27-50-16-18-51(19-17-50)33-8-10-36(40(23-33)60-34-22-30-12-13-45-41(30)46-26-34)42(54)48-61(57,58)35-9-11-38(39(24-35)53(55)56)47-52-20-14-49(3)15-21-52/h4-13,22-24,26,47H,14-21,25,27-28H2,1-3H3,(H,45,46)(H,48,54)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189519
PNG
(US9174982, 71)
Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCC(CC1)N1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCCC3)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C51H59ClN8O7S/c52-38-5-3-35(4-6-38)44-15-19-51(17-1-2-18-51)32-37(44)34-57-21-23-58(24-22-57)41-11-13-45(48(30-41)67-42-29-36-16-20-53-49(36)54-33-42)50(61)56-68(64,65)43-12-14-46(47(31-43)60(62)63)55-39-7-9-40(10-8-39)59-25-27-66-28-26-59/h3-6,11-14,16,20,29-31,33,39-40,55H,1-2,7-10,15,17-19,21-28,32,34H2,(H,53,54)(H,56,61)
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0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189520
PNG
(US9174982, 72)
Show SMILES COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)OC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C46H52ClN7O8S/c1-46(2)25-40(31-6-8-34(47)9-7-31)33(29-61-46)28-52-18-20-53(21-19-52)35-10-14-39(43(23-35)62-37-22-32-16-17-48-44(32)50-27-37)45(55)51-63(58,59)38-13-15-41(42(24-38)54(56)57)49-26-30-4-11-36(60-3)12-5-30/h6-10,13-17,22-24,27,30,36,49H,4-5,11-12,18-21,25-26,28-29H2,1-3H3,(H,48,50)(H,51,55)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189521
PNG
(US9174982, 73)
Show SMILES [O-][N+](=O)c1cc(ccc1OCC1(F)CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCCC3)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H50ClFN6O8S/c48-35-5-3-32(4-6-35)39-11-15-46(13-1-2-14-46)28-34(39)30-53-19-21-54(22-20-53)36-7-9-40(43(26-36)63-37-25-33-12-18-50-44(33)51-29-37)45(56)52-64(59,60)38-8-10-42(41(27-38)55(57)58)62-31-47(49)16-23-61-24-17-47/h3-10,12,18,25-27,29H,1-2,11,13-17,19-24,28,30-31H2,(H,50,51)(H,52,56)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189523
PNG
(US9174982, 75)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-38(31-3-5-34(46)6-4-31)33(26-45)29-51-17-19-52(20-18-51)35-7-9-39(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189526
PNG
(US9174982, 78)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4COCCN4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48ClN7O8S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)26-50-16-18-51(19-17-50)34-7-9-37(41(22-34)60-35-21-30-12-14-47-42(30)48-25-35)43(53)49-61(56,57)36-8-10-40(39(23-36)52(54)55)59-28-33-27-58-20-15-46-33/h3-10,12,14,21-23,25,33,46H,11,13,15-20,24,26-28H2,1-2H3,(H,47,48)(H,49,53)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189527
PNG
(US9174982, 79)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC3(CCCC3)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H52ClN7O7S/c48-36-5-3-33(4-6-36)40-11-17-47(15-1-2-16-47)28-35(40)31-53-19-21-54(22-20-53)37-7-9-41(44(26-37)62-38-25-34-12-18-49-45(34)51-30-38)46(56)52-63(59,60)39-8-10-42(43(27-39)55(57)58)50-29-32-13-23-61-24-14-32/h3-10,12,18,25-27,30,32,50H,1-2,11,13-17,19-24,28-29,31H2,(H,49,51)(H,52,56)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189528
PNG
(US9174982, 80)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51ClN8O8S2/c1-45(2)16-12-32(39(27-45)30-4-6-33(46)7-5-30)29-51-20-22-52(23-21-51)35-8-10-38(42(25-35)62-36-24-31-13-17-47-43(31)48-28-36)44(55)50-64(60,61)37-9-11-40(41(26-37)54(56)57)49-34-14-18-53(19-15-34)63(3,58)59/h4-11,13,17,24-26,28,34,49H,12,14-16,18-23,27,29H2,1-3H3,(H,47,48)(H,50,55)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145011
PNG
(US8952157, 198 | US9303025, 198)
Show SMILES CN1CCC(O)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc(F)c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C45H52ClFN6O7S/c1-44(2)16-15-32(39(28-44)31-7-9-33(46)10-8-31)29-51-21-23-52(24-22-51)35-11-13-38(42(26-35)60-36-6-4-5-34(47)25-36)43(54)49-61(58,59)37-12-14-40(41(27-37)53(56)57)48-30-45(55)17-19-50(3)20-18-45/h4-14,25-27,48,55H,15-24,28-30H2,1-3H3,(H,49,54)
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<0.0100n/an/an/an/an/an/an/an/a



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))
BDBM145014
PNG
(US8952157, 201 | US9303025, 201)
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]c4c(F)c3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H56ClF2N7O7S/c1-50(2)17-11-34(41(30-50)32-3-5-35(51)6-4-32)31-57-21-23-59(24-22-57)38-7-9-40(44(28-38)67-45-27-33-12-18-54-48(33)47(53)46(45)52)49(61)56-68(64,65)39-8-10-42(43(29-39)60(62)63)55-36-13-19-58(20-14-36)37-15-25-66-26-16-37/h3-10,12,18,27-29,36-37,54-55H,11,13-17,19-26,30-31H2,1-2H3,(H,56,61)
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0.0100n/an/an/an/an/an/an/an/a



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))
BDBM145022
PNG
(US8952157, 209 | US9303025, 209)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cc(F)cc2[nH]ccc12)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H51ClFN7O6S/c1-46(2)16-12-31(39(28-46)30-4-6-32(47)7-5-30)29-53-20-22-54(23-21-53)35-8-10-38(44(26-35)61-43-25-33(48)24-41-37(43)13-17-49-41)45(56)51-62(59,60)36-9-11-40(42(27-36)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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<0.0100n/an/an/an/an/an/an/an/a



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))
BDBM60814
PNG
(US9174982, 81)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48ClN7O8S2/c1-44(2)15-11-31(38(26-44)29-3-5-32(45)6-4-29)28-50-17-19-51(20-18-50)34-7-9-37(41(24-34)60-35-23-30-12-16-46-42(30)47-27-35)43(53)49-62(58,59)36-8-10-39(40(25-36)52(54)55)48-33-13-21-61(56,57)22-14-33/h3-10,12,16,23-25,27,33,48H,11,13-15,17-22,26,28H2,1-2H3,(H,46,47)(H,49,53)
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<0.0100n/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))
BDBM60816
PNG
(US9174982, 183)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC(F)(F)F)C4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClF3N8O6S/c1-44(2)14-11-31(38(24-44)29-3-5-32(46)6-4-29)26-54-17-19-56(20-18-54)34-7-9-37(41(22-34)63-35-21-30-12-15-50-42(30)51-25-35)43(58)53-64(61,62)36-8-10-39(40(23-36)57(59)60)52-33-13-16-55(27-33)28-45(47,48)49/h3-10,12,15,21-23,25,33,52H,11,13-14,16-20,24,26-28H2,1-2H3,(H,50,51)(H,53,58)
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<0.0100n/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))
BDBM60818
PNG
(US9174982, 203)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4C[C@H]5C[C@@H]4[C@@H](O)[C@@H]5O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClN7O8S/c1-46(2)13-11-29(37(24-46)27-3-5-31(47)6-4-27)26-52-15-17-53(18-16-52)32-7-9-35(41(22-32)62-33-19-28-12-14-48-44(28)49-25-33)45(57)51-63(60,61)34-8-10-38(40(23-34)54(58)59)50-39-21-30-20-36(39)43(56)42(30)55/h3-10,12,14,19,22-23,25,30,36,39,42-43,50,55-56H,11,13,15-18,20-21,24,26H2,1-2H3,(H,48,49)(H,51,57)/t30-,36+,39?,42-,43-/m1/s1
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<0.0100n/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))
BDBM60819
PNG
(US9174982, 204)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4C[C@H]5C[C@@H]4[C@H](O)[C@H]5O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClN7O8S/c1-46(2)13-11-29(37(24-46)27-3-5-31(47)6-4-27)26-52-15-17-53(18-16-52)32-7-9-35(41(22-32)62-33-19-28-12-14-48-44(28)49-25-33)45(57)51-63(60,61)34-8-10-38(40(23-34)54(58)59)50-39-21-30-20-36(39)43(56)42(30)55/h3-10,12,14,19,22-23,25,30,36,39,42-43,50,55-56H,11,13,15-18,20-21,24,26H2,1-2H3,(H,48,49)(H,51,57)/t30-,36+,39?,42+,43+/m1/s1
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<0.0100n/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))
BDBM60820
PNG
(US9174982, 213)
Show SMILES COCCOCCN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1
Show InChI InChI=1S/C49H59ClN8O9S/c1-49(2)14-12-36(43(29-49)34-4-6-37(50)7-5-34)32-55-16-18-57(19-17-55)38-8-10-42(46(27-38)67-39-26-35-13-15-51-47(35)53-30-39)48(59)54-68(62,63)41-9-11-44(45(28-41)58(60)61)52-31-40-33-56(21-23-66-40)20-22-65-25-24-64-3/h4-11,13,15,26-28,30,40,52H,12,14,16-25,29,31-33H2,1-3H3,(H,51,53)(H,54,59)
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<0.0100n/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))
BDBM60822
PNG
(US9174982, 224)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51ClN8O7S/c1-46(2)14-11-32(40(24-46)30-3-5-33(47)6-4-30)26-52-17-19-53(20-18-52)35-7-9-39(43(22-35)62-37-21-31-12-15-48-44(31)49-25-37)45(56)51-63(59,60)38-8-10-41(42(23-38)55(57)58)50-34-13-16-54(27-34)36-28-61-29-36/h3-10,12,15,21-23,25,34,36,50H,11,13-14,16-20,24,26-29H2,1-2H3,(H,48,49)(H,51,56)
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<0.0100n/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))
BDBM60825
PNG
(US9174982, 343)
Show SMILES C[C@]1(O)C[C@@H]2C[C@@H]1CC2CONc1ncc(cc1Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H53Cl2N7O6S/c1-46(2)12-10-31(40(24-46)29-4-6-35(48)7-5-29)27-55-14-16-56(17-15-55)36-8-9-39(42(21-36)62-37-20-30-11-13-50-43(30)51-25-37)45(57)54-63(59,60)38-22-41(49)44(52-26-38)53-61-28-33-19-34-18-32(33)23-47(34,3)58/h4-9,11,13,20-22,25-26,32-34,58H,10,12,14-19,23-24,27-28H2,1-3H3,(H,50,51)(H,52,53)(H,54,57)/t32-,33?,34+,47-/m0/s1
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<0.0100n/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))
BDBM189456
PNG
(US9174982, 2)
Show SMILES [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H45ClN8O7S/c45-34-8-6-31(7-9-34)38-5-2-1-4-33(38)30-51-18-20-52(21-19-51)35-10-12-39(42(27-35)60-36-26-32-14-16-47-43(32)48-29-36)44(54)49-61(57,58)37-11-13-40(41(28-37)53(55)56)46-15-3-17-50-22-24-59-25-23-50/h1-2,4-14,16,26-29,46H,3,15,17-25,30H2,(H,47,48)(H,49,54)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189458
PNG
(US9174982, 4)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H51ClN8O6S/c1-45(2)16-12-32(39(27-45)30-4-6-33(46)7-5-30)29-52-20-22-53(23-21-52)35-8-10-38(42(25-35)60-36-24-31-13-17-47-43(31)48-28-36)44(55)50-61(58,59)37-9-11-40(41(26-37)54(56)57)49-34-14-18-51(3)19-15-34/h4-11,13,17,24-26,28,34,49H,12,14-16,18-23,27,29H2,1-3H3,(H,47,48)(H,50,55)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM60828
PNG
(ABT-199 | BDBM189459 | US9174982, 369)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189463
PNG
(US9174982, 39 | US9174982, 9)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H57ClN8O7S/c1-49(2)17-15-35(43(30-49)33-3-5-36(50)6-4-33)32-55-19-21-56(22-20-55)39-11-13-42(46(28-39)65-40-27-34-16-18-51-47(34)52-31-40)48(59)54-66(62,63)41-12-14-44(45(29-41)58(60)61)53-37-7-9-38(10-8-37)57-23-25-64-26-24-57/h3-6,11-14,16,18,27-29,31,37-38,53H,7-10,15,17,19-26,30,32H2,1-2H3,(H,51,52)(H,54,59)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189464
PNG
(US9174982, 10)
Show SMILES COCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H46ClN7O7S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-48-17-19-49(20-18-48)32-8-10-35(39(23-32)57-33-22-29-13-15-45-40(29)46-26-33)41(51)47-58(54,55)34-9-11-37(44-16-21-56-3)38(24-34)50(52)53/h4-11,13,15,22-24,26,44H,12,14,16-21,25,27H2,1-3H3,(H,45,46)(H,47,51)
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<0.0100n/an/an/an/an/an/an/an/a



ABBVIE INC.; GENENTECH, 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 US9174982 (2015)


BindingDB Entry DOI: 10.7270/Q2RB73D5
More data for this
Ligand-Target Pair
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