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Compile Data Set for Download or QSAR

Found 1648 hits of ki data for polymerid = 3928   
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))
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...


Citation and Details
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.

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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189476
PNG
(US9174982, 28)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@@H]4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN6O9S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)26-49-15-17-50(18-16-49)33-7-9-37(41(22-33)60-34-21-30-12-14-46-42(30)47-25-34)43(52)48-61(55,56)36-8-10-40(39(23-36)51(53)54)59-28-35-27-57-19-20-58-35/h3-10,12,14,21-23,25,35H,11,13,15-20,24,26-28H2,1-2H3,(H,46,47)(H,48,52)/t35-/m0/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189477
PNG
(US9174982, 29 | US9174982, 34)
Show SMILES COC1CCC(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/C47H54ClN7O7S/c1-47(2)18-16-34(41(27-47)32-6-8-35(48)9-7-32)30-53-20-22-54(23-21-53)36-10-14-40(44(25-36)62-38-24-33-17-19-49-45(33)51-29-38)46(56)52-63(59,60)39-13-15-42(43(26-39)55(57)58)50-28-31-4-11-37(61-3)12-5-31/h6-10,13-15,17,19,24-26,29,31,37,50H,4-5,11-12,16,18,20-23,27-28,30H2,1-3H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189478
PNG
(US9174982, 30)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN6O9S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)26-49-15-17-50(18-16-49)33-7-9-37(41(22-33)60-34-21-30-12-14-46-42(30)47-25-34)43(52)48-61(55,56)36-8-10-40(39(23-36)51(53)54)59-28-35-27-57-19-20-58-35/h3-10,12,14,21-23,25,35H,11,13,15-20,24,26-28H2,1-2H3,(H,46,47)(H,48,52)/t35-/m1/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189479
PNG
(US9174982, 31)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H46ClN7O9S/c1-43(2)22-37(28-3-5-31(44)6-4-28)30(26-59-43)25-49-13-15-50(16-14-49)32-7-9-36(40(20-32)60-33-19-29-11-12-45-41(29)47-23-33)42(52)48-61(55,56)35-8-10-38(39(21-35)51(53)54)46-24-34-27-57-17-18-58-34/h3-12,19-21,23,34,46H,13-18,22,24-27H2,1-2H3,(H,45,47)(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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189480
PNG
(US9174982, 32)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H45ClN6O10S/c1-43(2)22-37(28-3-5-31(44)6-4-28)30(25-59-43)24-48-13-15-49(16-14-48)32-7-9-36(40(20-32)60-33-19-29-11-12-45-41(29)46-23-33)42(51)47-61(54,55)35-8-10-39(38(21-35)50(52)53)58-27-34-26-56-17-18-57-34/h3-12,19-21,23,34H,13-18,22,24-27H2,1-2H3,(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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189477
PNG
(US9174982, 29 | US9174982, 34)
Show SMILES COC1CCC(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/C47H54ClN7O7S/c1-47(2)18-16-34(41(27-47)32-6-8-35(48)9-7-32)30-53-20-22-54(23-21-53)36-10-14-40(44(25-36)62-38-24-33-17-19-49-45(33)51-29-38)46(56)52-63(59,60)39-13-15-42(43(26-39)55(57)58)50-28-31-4-11-37(61-3)12-5-31/h6-10,13-15,17,19,24-26,29,31,37,50H,4-5,11-12,16,18,20-23,27-28,30H2,1-3H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189483
PNG
(US9174982, 35)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(c3)C#N)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H46ClN7O7S/c1-44(2)22-39(30-3-5-34(45)6-4-30)33(28-58-44)26-51-13-15-52(16-14-51)35-7-8-38(40(21-35)59-36-19-31-9-12-47-41(31)48-24-36)42(53)50-60(54,55)37-20-32(23-46)43(49-25-37)57-27-29-10-17-56-18-11-29/h3-9,12,19-21,24-25,29H,10-11,13-18,22,26-28H2,1-2H3,(H,47,48)(H,50,53)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189485
PNG
(US9174982, 37)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClFN6O8S/c1-44(2)13-11-32(38(26-44)30-3-5-33(46)6-4-30)28-51-17-19-52(20-18-51)34-7-9-37(41(24-34)61-35-23-31-12-16-48-42(31)49-27-35)43(54)50-62(57,58)36-8-10-40(39(25-36)53(55)56)60-29-45(47)14-21-59-22-15-45/h3-10,12,16,23-25,27H,11,13-15,17-22,26,28-29H2,1-2H3,(H,48,49)(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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189488
PNG
(US9174982, 40)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48Cl2N6O6S/c1-44(2)13-9-32(38(24-44)30-3-5-33(45)6-4-30)27-51-15-17-52(18-16-51)34-7-8-37(40(22-34)58-35-21-31-10-14-47-41(31)48-25-35)42(53)50-59(54,55)36-23-39(46)43(49-26-36)57-28-29-11-19-56-20-12-29/h3-8,10,14,21-23,25-26,29H,9,11-13,15-20,24,27-28H2,1-2H3,(H,47,48)(H,50,53)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189489
PNG
(US9174982, 41)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H46Cl2N6O7S/c1-43(2)22-37(29-3-5-32(44)6-4-29)31(27-57-43)25-50-13-15-51(16-14-50)33-7-8-36(39(20-33)58-34-19-30-9-12-46-40(30)47-23-34)41(52)49-59(53,54)35-21-38(45)42(48-24-35)56-26-28-10-17-55-18-11-28/h3-9,12,19-21,23-24,28H,10-11,13-18,22,25-27H2,1-2H3,(H,46,47)(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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189492
PNG
(US9174982, 44)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)S(=O)(=O)C(F)(F)F)c(Oc3cnc4[nH]ccc4c3)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H55ClF3N7O8S2/c1-48(2)28-42(32-3-5-35(50)6-4-32)34(31-67-48)30-58-17-19-59(20-18-58)38-11-13-41(44(26-38)68-39-25-33-15-16-54-46(33)55-29-39)47(61)57-70(64,65)40-12-14-43(45(27-40)69(62,63)49(51,52)53)56-36-7-9-37(10-8-36)60-21-23-66-24-22-60/h3-6,11-16,25-27,29,36-37,56H,7-10,17-24,28,30-31H2,1-2H3,(H,54,55)(H,57,61)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189493
PNG
(US9174982, 45)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)OC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H49ClF3N7O7S2/c1-44(2)25-38(29-4-6-32(46)7-5-29)31(28-62-44)27-55-18-20-56(21-19-55)34-8-10-37(40(23-34)63-35-22-30-12-15-50-42(30)51-26-35)43(57)53-65(60,61)36-9-11-39(52-33-13-16-54(3)17-14-33)41(24-36)64(58,59)45(47,48)49/h4-12,15,22-24,26,33,52H,13-14,16-21,25,27-28H2,1-3H3,(H,50,51)(H,53,57)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189495
PNG
(US9174982, 47)
Show SMILES CN1CCC(COc2ncc(cc2Br)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/C45H51BrClN7O5S/c1-45(2)14-10-33(39(25-45)31-4-6-34(47)7-5-31)28-53-18-20-54(21-19-53)35-8-9-38(41(23-35)59-36-22-32-11-15-48-42(32)49-26-36)43(55)51-60(56,57)37-24-40(46)44(50-27-37)58-29-30-12-16-52(3)17-13-30/h4-9,11,15,22-24,26-27,30H,10,12-14,16-21,25,28-29H2,1-3H3,(H,48,49)(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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM189496
PNG
(US9174982, 48)
Show SMILES CN1CCC(COc2ccc(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/C46H52ClN7O7S/c1-46(2)16-12-34(40(27-46)32-4-6-35(47)7-5-32)29-52-20-22-53(23-21-52)36-8-10-39(43(25-36)61-37-24-33-13-17-48-44(33)49-28-37)45(55)50-62(58,59)38-9-11-42(41(26-38)54(56)57)60-30-31-14-18-51(3)19-15-31/h4-11,13,17,24-26,28,31H,12,14-16,18-23,27,29-30H2,1-3H3,(H,48,49)(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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145127
PNG
(US8952157, 318 | US9303025, 318)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H49Cl2N7O7S/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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145133
PNG
(US8952157, 324 | US9303025, 324)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H56Cl2N8O7S/c1-47(2)16-15-32(40(28-47)31-3-5-33(48)6-4-31)30-54-17-19-55(20-18-54)36-11-13-39(44(25-36)64-37-26-41(49)45(50)51-29-37)46(58)53-65(61,62)38-12-14-42(43(27-38)57(59)60)52-34-7-9-35(10-8-34)56-21-23-63-24-22-56/h3-6,11-14,25-27,29,34-35,52H,7-10,15-24,28,30H2,1-2H3,(H2,50,51)(H,53,58)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145139
PNG
(US8952157, 330 | US9303025, 330)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H47Cl2FN6O8S/c1-42(2)12-11-29(35(24-42)28-3-5-30(44)6-4-28)26-50-15-17-51(18-16-50)31-7-9-34(39(21-31)60-32-22-36(45)40(47)48-25-32)41(53)49-61(56,57)33-8-10-38(37(23-33)52(54)55)59-27-43(46)13-19-58-20-14-43/h3-10,21-23,25H,11-20,24,26-27H2,1-2H3,(H2,47,48)(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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145144
PNG
(US8952157, 335 | US9303025, 335)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)NC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C51H59ClFN7O7S/c1-51(2)19-15-35(43(31-51)33-3-5-36(52)6-4-33)32-58-21-23-59(24-22-58)40-11-13-42(48(28-40)67-49-27-34-16-20-54-46(34)30-44(49)53)50(61)57-68(64,65)41-12-14-45(47(29-41)60(62)63)56-38-9-7-37(8-10-38)55-39-17-25-66-26-18-39/h3-6,11-14,16,20,27-30,37-39,54-56H,7-10,15,17-19,21-26,31-32H2,1-2H3,(H,57,61)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145145
PNG
(US8952157, 336 | US9303025, 336)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C55H66ClFN8O7S/c1-55(2)19-15-39(47(35-55)37-3-5-40(56)6-4-37)36-61-21-23-64(24-22-61)44-11-13-46(52(32-44)72-53-31-38-16-20-58-50(38)34-48(53)57)54(66)60-73(69,70)45-12-14-49(51(33-45)65(67)68)59-41-7-9-42(10-8-41)62-25-27-63(28-26-62)43-17-29-71-30-18-43/h3-6,11-14,16,20,31-34,41-43,58-59H,7-10,15,17-19,21-30,35-36H2,1-2H3,(H,60,66)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145147
PNG
(US8952157, 338 | US9303025, 338)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H52ClFN6O7S/c1-47(2)17-15-33(39(27-47)31-5-7-34(48)8-6-31)29-53-19-21-54(22-20-53)35-9-13-38(44(24-35)62-45-23-32-16-18-50-42(32)26-40(45)49)46(57)52-63(60,61)37-12-14-41(43(25-37)55(58)59)51-28-30-3-10-36(56)11-4-30/h5-9,12-14,16,18,23-26,30,36,50-51,56H,3-4,10-11,15,17,19-22,27-29H2,1-2H3,(H,52,57)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145155
PNG
(US8952157, 346 | US9303025, 346)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H47Cl2N7O8S/c1-42(2)12-11-28(35(22-42)27-3-5-29(43)6-4-27)25-49-13-15-50(16-14-49)30-7-9-34(39(19-30)59-31-20-36(44)40(45)47-23-31)41(52)48-60(55,56)33-8-10-37(38(21-33)51(53)54)46-24-32-26-57-17-18-58-32/h3-10,19-21,23,32,46H,11-18,22,24-26H2,1-2H3,(H2,45,47)(H,48,52)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145159
PNG
(US8952157, 350 | US9303025, 350)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Br)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H49BrClN7O7S/c1-43(2)14-11-30(36(24-43)29-3-5-31(45)6-4-29)27-50-15-17-51(18-16-50)32-7-9-35(40(21-32)59-33-22-37(44)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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145172
PNG
(US8952157, 363 | US9303025, 363)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H48Cl2FN7O7S/c1-42(2)12-11-29(35(24-42)28-3-5-30(44)6-4-28)26-51-15-17-52(18-16-51)31-7-9-34(39(21-31)60-32-22-36(45)40(47)48-25-32)41(54)50-61(57,58)33-8-10-37(38(23-33)53(55)56)49-27-43(46)13-19-59-20-14-43/h3-10,21-23,25,49H,11-20,24,26-27H2,1-2H3,(H2,47,48)(H,50,54)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145177
PNG
(US8952157, 368 | US9303025, 368)
Show SMILES Cn1c2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)cccc2[nH]c1=O
Show InChI InChI=1S/C46H52ClN7O8S/c1-46(2)18-15-32(37(27-46)31-7-9-33(47)10-8-31)29-52-19-21-53(22-20-52)34-11-13-36(42(25-34)62-41-6-4-5-39-43(41)51(3)45(56)49-39)44(55)50-63(59,60)35-12-14-38(40(26-35)54(57)58)48-28-30-16-23-61-24-17-30/h4-14,25-26,30,48H,15-24,27-29H2,1-3H3,(H,49,56)(H,50,55)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145179
PNG
(US8952157, 370 | US9303025, 370)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H50Cl2N8O6S/c1-44(2)15-13-29(37(24-44)28-3-5-30(45)6-4-28)26-51-17-19-52(20-18-51)33-9-11-36(41(21-33)60-34-22-38(46)42(47)48-25-34)43(55)50-61(58,59)35-10-12-39(40(23-35)54(56)57)49-31-14-16-53(27-31)32-7-8-32/h3-6,9-12,21-23,25,31-32,49H,7-8,13-20,24,26-27H2,1-2H3,(H2,47,48)(H,50,55)/t31-/m1/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145180
PNG
(US8952157, 371 | US9303025, 371)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52Cl2F3N7O7S/c1-45(2)12-11-31(38(24-45)30-3-5-32(47)6-4-30)28-55-17-19-57(20-18-55)33-7-9-37(42(21-33)65-35-22-39(48)43(52)53-27-35)44(59)54-66(62,63)36-8-10-41(40(23-36)58(60)61)64-29-46(51)13-15-56(16-14-46)34(25-49)26-50/h3-10,21-23,27,34H,11-20,24-26,28-29H2,1-2H3,(H2,52,53)(H,54,59)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145187
PNG
(US8952157, 378 | US9303025, 378)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H52Cl2F2N8O7S/c1-45(2)12-11-30(38(22-45)29-3-5-31(46)6-4-29)27-54-13-15-55(16-14-54)32-7-9-37(42(19-32)64-34-20-39(47)43(50)52-25-34)44(58)53-65(61,62)36-8-10-40(41(21-36)57(59)60)51-26-35-28-56(17-18-63-35)33(23-48)24-49/h3-10,19-21,25,33,35,51H,11-18,22-24,26-28H2,1-2H3,(H2,50,52)(H,53,58)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145195
PNG
(US8952157, 386)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H51Cl2N7O7S/c1-44(2)16-15-30(37(24-44)29-5-7-31(45)8-6-29)27-51-17-19-52(20-18-51)32-9-13-36(41(21-32)60-34-22-38(46)42(47)49-26-34)43(55)50-61(58,59)35-12-14-39(40(23-35)53(56)57)48-25-28-3-10-33(54)11-4-28/h5-9,12-14,21-23,26,28,33,48,54H,3-4,10-11,15-20,24-25,27H2,1-2H3,(H2,47,49)(H,50,55)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145196
PNG
(US8952157, 387 | US9303025, 387)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H47Cl2N7O8S/c1-42(2)22-35(28-3-5-30(43)6-4-28)29(26-58-42)25-49-13-15-50(16-14-49)31-7-9-34(39(19-31)59-32-20-36(44)40(45)47-24-32)41(52)48-60(55,56)33-8-10-37(38(21-33)51(53)54)46-23-27-11-17-57-18-12-27/h3-10,19-21,24,27,46H,11-18,22-23,25-26H2,1-2H3,(H2,45,47)(H,48,52)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145198
PNG
(US8952157, 389 | US9303025, 389)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H47Cl2N7O7S/c1-42(2)13-11-29(35(22-42)28-3-5-30(43)6-4-28)25-49-14-16-50(17-15-49)31-7-9-34(39(19-31)58-32-20-36(44)40(45)47-24-32)41(52)48-59(55,56)33-8-10-37(38(21-33)51(53)54)46-23-27-12-18-57-26-27/h3-10,19-21,24,27,46H,11-18,22-23,25-26H2,1-2H3,(H2,45,47)(H,48,52)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145199
PNG
(US8952157, 390 | US9303025, 390)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C41H44Cl3FN6O7S/c1-40(2)20-33(26-3-5-28(42)6-4-26)27(24-57-40)23-50-11-13-51(14-12-50)29-7-8-32(36(17-29)58-30-18-34(43)37(46)47-21-30)38(52)49-59(53,54)31-19-35(44)39(48-22-31)56-25-41(45)9-15-55-16-10-41/h3-8,17-19,21-22H,9-16,20,23-25H2,1-2H3,(H2,46,47)(H,49,52)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145200
PNG
(US8952157, 391 | US9303025, 391)
Show SMILES Nc1ncc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(CC3=C(CCC4(CCN(CC4)C(CF)CF)C3)c3ccc(Cl)cc3)CC2)cc1Cl
Show InChI InChI=1S/C48H56Cl2F2N8O7S/c49-35-3-1-33(2-4-35)40-9-12-48(13-15-58(16-14-48)37(27-51)28-52)26-34(40)31-57-17-19-59(20-18-57)36-5-7-41(45(23-36)67-38-24-42(50)46(53)55-30-38)47(61)56-68(64,65)39-6-8-43(44(25-39)60(62)63)54-29-32-10-21-66-22-11-32/h1-8,23-25,30,32,37,54H,9-22,26-29,31H2,(H2,53,55)(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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145201
PNG
(US8952157, 392 | US9303025, 392)
Show SMILES CC(C)N1CCC2(CC1)CCC(=C(CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c1)C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H58Cl2N8O7S/c1-32(2)56-17-15-48(16-18-56)14-11-40(34-3-5-36(49)6-4-34)35(28-48)31-55-19-21-57(22-20-55)37-7-9-41(45(25-37)65-38-26-42(50)46(51)53-30-38)47(59)54-66(62,63)39-8-10-43(44(27-39)58(60)61)52-29-33-12-23-64-24-13-33/h3-10,25-27,30,32-33,52H,11-24,28-29,31H2,1-2H3,(H2,51,53)(H,54,59)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM145202
PNG
(US8952157, 393 | US9303025, 393)
Show SMILES CN(C)CC(=O)N1CCC(F)(COc2ncc(cc2Cl)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/C46H54Cl3FN8O6S/c1-45(2)12-11-31(37(24-45)30-5-7-32(47)8-6-30)27-56-17-19-57(20-18-56)33-9-10-36(40(21-33)64-34-22-38(48)42(51)52-25-34)43(60)54-65(61,62)35-23-39(49)44(53-26-35)63-29-46(50)13-15-58(16-14-46)41(59)28-55(3)4/h5-10,21-23,25-26H,11-20,24,27-29H2,1-4H3,(H2,51,52)(H,54,60)
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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...


Citation and Details
More data for this
Ligand-Target Pair
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