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Compile Data Set for Download or QSAR

Found 2078 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
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=1/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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US Patent
<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)

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


(Homo sapiens (human))
BDBM144940
PNG
(US8952157, 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)

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=1/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)

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)

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)

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)

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)

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)

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


(Homo sapiens (human))
BDBM145154
PNG
(US8952157, 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)

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


(Homo sapiens (human))
BDBM144855
PNG
(US8952157, 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)

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


(Homo sapiens (human))
BDBM145152
PNG
(US8952157, 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)

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


(Homo sapiens (human))
BDBM189551
PNG
(US9174982, 113)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CNCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1/C44H49ClN8O7S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)28-51-16-18-52(19-17-51)33-7-9-37(41(22-33)60-34-21-30-12-14-47-42(30)49-26-34)43(54)50-61(57,58)36-8-10-39(40(23-36)53(55)56)48-27-35-25-46-15-20-59-35/h3-10,12,14,21-23,26,35,46,48H,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)

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


(Homo sapiens (human))
BDBM189552
PNG
(US9174982, 114)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1/C44H48ClN7O7S/c1-44(2)14-11-32(38(24-44)30-3-5-33(45)6-4-30)27-50-16-18-51(19-17-50)34-7-9-37(41(22-34)59-35-21-31-12-15-46-42(31)48-26-35)43(53)49-60(56,57)36-8-10-39(40(23-36)52(54)55)47-25-29-13-20-58-28-29/h3-10,12,15,21-23,26,29,47H,11,13-14,16-20,24-25,27-28H2,1-2H3,(H,46,48)(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)

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


(Homo sapiens (human))
BDBM189553
PNG
(US9174982, 115)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)[C@H]4CCOC[C@H]4F)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H56ClFN8O7S/c1-49(2)16-11-34(41(28-49)32-3-5-35(50)6-4-32)30-56-20-22-57(23-21-56)37-7-9-40(46(26-37)66-38-25-33-12-17-52-47(33)53-29-38)48(60)55-67(63,64)39-8-10-43(45(27-39)59(61)62)54-36-13-18-58(19-14-36)44-15-24-65-31-42(44)51/h3-10,12,17,25-27,29,36,42,44,54H,11,13-16,18-24,28,30-31H2,1-2H3,(H,52,53)(H,55,60)/t42-,44+/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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189554
PNG
(US9174982, 116)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CN(C4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H53ClN8O7S/c1-47(2)15-11-33(41(26-47)31-3-5-34(48)6-4-31)28-53-17-19-54(20-18-53)37-7-9-40(44(24-37)63-38-23-32-12-16-49-45(32)50-27-38)46(57)52-64(60,61)39-8-10-42(43(25-39)56(58)59)51-35-29-55(30-35)36-13-21-62-22-14-36/h3-10,12,16,23-25,27,35-36,51H,11,13-15,17-22,26,28-30H2,1-2H3,(H,49,50)(H,52,57)
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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)

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


(Homo sapiens (human))
BDBM189555
PNG
(US9174982, 117)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CN(C4)C4CCOC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1/C46H51ClN8O7S/c1-46(2)14-11-32(40(24-46)30-3-5-33(47)6-4-30)26-52-16-18-53(19-17-52)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)50-34-27-54(28-34)36-13-20-61-29-36/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.; 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)

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


(Homo sapiens (human))
BDBM189556
PNG
(US9174982, 118)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CCN(C4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H57ClN8O7S/c1-49(2)16-11-36(43(28-49)34-3-5-37(50)6-4-34)32-55-19-21-56(22-20-55)39-7-9-42(46(26-39)65-40-25-35-12-17-51-47(35)53-30-40)48(59)54-66(62,63)41-8-10-44(45(27-41)58(60)61)52-29-33-13-18-57(31-33)38-14-23-64-24-15-38/h3-10,12,17,25-27,30,33,38,52H,11,13-16,18-24,28-29,31-32H2,1-2H3,(H,51,53)(H,54,59)/t33-/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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189557
PNG
(US9174982, 119)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClFN6O8S/c1-44(2)13-11-37(30-3-5-33(46)6-4-30)32(26-44)28-51-17-19-52(20-18-51)34-7-9-38(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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189558
PNG
(US9174982, 120)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC[C@H]4CC[C@H](O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51ClN6O8S/c1-46(2)17-15-33(40(26-46)31-5-7-34(47)8-6-31)28-51-19-21-52(22-20-51)35-9-13-39(43(24-35)61-37-23-32-16-18-48-44(32)49-27-37)45(55)50-62(58,59)38-12-14-42(41(25-38)53(56)57)60-29-30-3-10-36(54)11-4-30/h5-9,12-14,16,18,23-25,27,30,36,54H,3-4,10-11,15,17,19-22,26,28-29H2,1-2H3,(H,48,49)(H,50,55)/t30-,36-
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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)

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


(Homo sapiens (human))
BDBM189559
PNG
(US9174982, 121)
Show SMILES CO[C@@H]1CC[C@H](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/C47H53ClN6O8S/c1-47(2)18-16-34(41(27-47)32-6-8-35(48)9-7-32)29-52-20-22-53(23-21-52)36-10-14-40(44(25-36)62-38-24-33-17-19-49-45(33)50-28-38)46(55)51-63(58,59)39-13-15-43(42(26-39)54(56)57)61-30-31-4-11-37(60-3)12-5-31/h6-10,13-15,17,19,24-26,28,31,37H,4-5,11-12,16,18,20-23,27,29-30H2,1-3H3,(H,49,50)(H,51,55)/t31-,37+
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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)

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


(Homo sapiens (human))
BDBM189560
PNG
(US9174982, 122)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)NC4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O6S/c1-48(2)19-17-33(42(28-48)31-3-5-34(49)6-4-31)30-55-21-23-56(24-22-55)38-13-15-41(45(26-38)63-39-25-32-18-20-50-46(32)51-29-39)47(58)54-64(61,62)40-14-16-43(44(27-40)57(59)60)53-37-11-9-36(10-12-37)52-35-7-8-35/h3-6,13-16,18,20,25-27,29,35-37,52-53H,7-12,17,19,21-24,28,30H2,1-2H3,(H,50,51)(H,54,58)
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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)

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


(Homo sapiens (human))
BDBM189561
PNG
(US9174982, 123)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)NC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H59ClN8O7S/c1-50(2)19-15-35(44(30-50)33-3-5-36(51)6-4-33)32-57-21-23-58(24-22-57)40-11-13-43(47(28-40)66-41-27-34-16-20-52-48(34)53-31-41)49(60)56-67(63,64)42-12-14-45(46(29-42)59(61)62)55-38-9-7-37(8-10-38)54-39-17-25-65-26-18-39/h3-6,11-14,16,20,27-29,31,37-39,54-55H,7-10,15,17-19,21-26,30,32H2,1-2H3,(H,52,53)(H,56,60)
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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)

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


(Homo sapiens (human))
BDBM189587
PNG
(US9174982, 149)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CCN(C4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H49ClN8O8S2/c1-44(2)15-12-31(38(25-44)29-4-6-32(45)7-5-29)27-50-18-20-51(21-19-50)34-8-10-37(41(23-34)61-35-22-30-13-16-46-42(30)47-26-35)43(54)49-63(59,60)36-9-11-39(40(24-36)53(55)56)48-33-14-17-52(28-33)62(3,57)58/h4-11,13,16,22-24,26,33,48H,12,14-15,17-21,25,27-28H2,1-3H3,(H,46,47)(H,49,54)/t33-/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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189588
PNG
(US9174982, 150)
Show SMILES CC1(C)CCCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C1c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)16-3-4-33(42(45)31-5-7-34(46)8-6-31)29-51-18-20-52(21-19-51)35-9-11-38(41(25-35)60-36-24-32-13-17-47-43(32)49-28-36)44(54)50-61(57,58)37-10-12-39(40(26-37)53(55)56)48-27-30-14-22-59-23-15-30/h5-13,17,24-26,28,30,48H,3-4,14-16,18-23,27,29H2,1-2H3,(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)

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


(Homo sapiens (human))
BDBM189590
PNG
(US9174982, 152)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCN(C4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1/C45H51ClN8O8S2/c1-45(2)15-12-33(39(25-45)31-4-6-34(46)7-5-31)29-51-18-20-52(21-19-51)35-8-10-38(42(23-35)62-36-22-32-13-16-47-43(32)49-27-36)44(55)50-64(60,61)37-9-11-40(41(24-37)54(56)57)48-26-30-14-17-53(28-30)63(3,58)59/h4-11,13,16,22-24,27,30,48H,12,14-15,17-21,25-26,28-29H2,1-3H3,(H,47,49)(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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189591
PNG
(US9174982, 153)
Show SMILES CC(=O)N1CCC(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=1/C46H51ClN8O7S/c1-30(56)54-17-14-31(28-54)26-49-41-11-9-38(24-42(41)55(58)59)63(60,61)51-45(57)39-10-8-36(23-43(39)62-37-22-33-13-16-48-44(33)50-27-37)53-20-18-52(19-21-53)29-34-12-15-46(2,3)25-40(34)32-4-6-35(47)7-5-32/h4-11,13,16,22-24,27,31,49H,12,14-15,17-21,25-26,28-29H2,1-3H3,(H,48,50)(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)

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


(Homo sapiens (human))
BDBM189592
PNG
(US9174982, 154)
Show SMILES CC(=O)N1CC[C@H](C1)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/C45H49ClN8O7S/c1-29(55)53-17-14-34(28-53)49-40-11-9-37(24-41(40)54(57)58)62(59,60)50-44(56)38-10-8-35(23-42(38)61-36-22-31-13-16-47-43(31)48-26-36)52-20-18-51(19-21-52)27-32-12-15-45(2,3)25-39(32)30-4-6-33(46)7-5-30/h4-11,13,16,22-24,26,34,49H,12,14-15,17-21,25,27-28H2,1-3H3,(H,47,48)(H,50,56)/t34-/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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189594
PNG
(US9174982, 156)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@@H]4CC[C@@H](O)C4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-13-32(39(25-45)30-4-6-33(46)7-5-30)28-51-17-19-52(20-18-51)34-8-11-38(42(23-34)60-36-22-31-14-16-47-43(31)49-27-36)44(55)50-61(58,59)37-10-12-40(41(24-37)53(56)57)48-26-29-3-9-35(54)21-29/h4-8,10-12,14,16,22-24,27,29,35,48,54H,3,9,13,15,17-21,25-26,28H2,1-2H3,(H,47,49)(H,50,55)/t29-,35-/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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189595
PNG
(US9174982, 157 | US9174982, 158 | US9174982, 159)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@H](O)C4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-13-32(39(25-45)30-4-6-33(46)7-5-30)28-51-17-19-52(20-18-51)34-8-11-38(42(23-34)60-36-22-31-14-16-47-43(31)49-27-36)44(55)50-61(58,59)37-10-12-40(41(24-37)53(56)57)48-26-29-3-9-35(54)21-29/h4-8,10-12,14,16,22-24,27,29,35,48,54H,3,9,13,15,17-21,25-26,28H2,1-2H3,(H,47,49)(H,50,55)/t29-,35-/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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189595
PNG
(US9174982, 157 | US9174982, 158 | US9174982, 159)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@H](O)C4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-13-32(39(25-45)30-4-6-33(46)7-5-30)28-51-17-19-52(20-18-51)34-8-11-38(42(23-34)60-36-22-31-14-16-47-43(31)49-27-36)44(55)50-61(58,59)37-10-12-40(41(24-37)53(56)57)48-26-29-3-9-35(54)21-29/h4-8,10-12,14,16,22-24,27,29,35,48,54H,3,9,13,15,17-21,25-26,28H2,1-2H3,(H,47,49)(H,50,55)/t29-,35-/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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189595
PNG
(US9174982, 157 | US9174982, 158 | US9174982, 159)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@H](O)C4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-13-32(39(25-45)30-4-6-33(46)7-5-30)28-51-17-19-52(20-18-51)34-8-11-38(42(23-34)60-36-22-31-14-16-47-43(31)49-27-36)44(55)50-61(58,59)37-10-12-40(41(24-37)53(56)57)48-26-29-3-9-35(54)21-29/h4-8,10-12,14,16,22-24,27,29,35,48,54H,3,9,13,15,17-21,25-26,28H2,1-2H3,(H,47,49)(H,50,55)/t29-,35-/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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189598
PNG
(US9174982, 160)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H]4CCCNC4=O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47ClN8O7S/c1-44(2)15-13-30(36(25-44)28-5-7-31(45)8-6-28)27-51-18-20-52(21-19-51)32-9-11-35(40(23-32)60-33-22-29-14-17-46-41(29)48-26-33)42(54)50-61(58,59)34-10-12-37(39(24-34)53(56)57)49-38-4-3-16-47-43(38)55/h5-12,14,17,22-24,26,38,49H,3-4,13,15-16,18-21,25,27H2,1-2H3,(H,46,48)(H,47,55)(H,50,54)/t38-/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...


US Patent US9174982 (2015)

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


(Homo sapiens (human))
BDBM189599
PNG
(US9174982, 161)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(C4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51ClF2N8O6S/c1-46(2)13-11-33(40(22-46)31-3-5-34(47)6-4-31)29-54-15-17-55(18-16-54)35-7-9-39(43(20-35)63-37-19-32-12-14-50-44(32)52-26-37)45(58)53-64(61,62)38-8-10-41(42(21-38)57(59)60)51-25-30-27-56(28-30)36(23-48)24-49/h3-10,12,14,19-21,26,30,36,51H,11,13,15-18,22-25,27-29H2,1-2H3,(H,50,52)(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)

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


(Homo sapiens (human))
BDBM189600
PNG
(US9174982, 162)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(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)13-11-33(40(22-46)31-3-5-34(47)6-4-31)27-52-15-17-53(18-16-52)35-7-9-39(43(20-35)62-37-19-32-12-14-48-44(32)50-24-37)45(56)51-63(59,60)38-8-10-41(42(21-38)55(57)58)49-23-30-25-54(26-30)36-28-61-29-36/h3-10,12,14,19-21,24,30,36,49H,11,13,15-18,22-23,25-29H2,1-2H3,(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)

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


(Homo sapiens (human))
BDBM189601
PNG
(US9174982, 163)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCN(CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)15-11-35(42(26-48)33-3-5-36(49)6-4-33)29-54-19-21-56(22-20-54)37-7-9-41(45(24-37)64-39-23-34-12-16-50-46(34)52-28-39)47(58)53-65(61,62)40-8-10-43(44(25-40)57(59)60)51-27-32-13-17-55(18-14-32)38-30-63-31-38/h3-10,12,16,23-25,28,32,38,51H,11,13-15,17-22,26-27,29-31H2,1-2H3,(H,50,52)(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)

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...


US Patent US9174982 (2015)

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...


US Patent US9174982 (2015)

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...


US Patent US9174982 (2015)

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...


US Patent US9174982 (2015)

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...


US Patent US9174982 (2015)

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...


US Patent US9174982 (2015)

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...


US Patent US9174982 (2015)

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...


US Patent US9174982 (2015)

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...


US Patent US9174982 (2015)

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=1/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)

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)

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)

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)

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


(Homo sapiens (human))
BDBM189602
PNG
(US9174982, 164)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O6S/c1-48(2)17-13-35(42(28-48)33-3-5-36(49)6-4-33)31-54-21-23-56(24-22-54)38-9-11-41(45(26-38)63-39-25-34-14-18-50-46(34)52-30-39)47(58)53-64(61,62)40-10-12-43(44(27-40)57(59)60)51-29-32-15-19-55(20-16-32)37-7-8-37/h3-6,9-12,14,18,25-27,30,32,37,51H,7-8,13,15-17,19-24,28-29,31H2,1-2H3,(H,50,52)(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)

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


(Homo sapiens (human))
BDBM189603
PNG
(US9174982, 165)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCF)CCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1/C46H52ClFN8O7S/c1-46(2)13-11-33(40(26-46)31-3-5-34(47)6-4-31)29-54-17-19-55(20-18-54)35-7-9-39(43(24-35)63-36-23-32-12-15-49-44(32)51-27-36)45(57)52-64(60,61)38-8-10-41(42(25-38)56(58)59)50-28-37-30-53(16-14-48)21-22-62-37/h3-10,12,15,23-25,27,37,50H,11,13-14,16-22,26,28-30H2,1-2H3,(H,49,51)(H,52,57)
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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)

More data for this
Ligand-Target Pair
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