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142 similar compounds to monomer 189797

Compile data set for download or QSAR
Wt: 844.4
BDBM145089
Wt: 845.4
BDBM145093
Wt: 886.4
BDBM145164
Wt: 884.4
BDBM145183
Wt: 936.5
BDBM145184
Wt: 902.8
BDBM145193
Wt: 937.5
BDBM189543
Wt: 883.4
BDBM189546
Wt: 923.5
BDBM189549
Wt: 870.4
BDBM189473
Wt: 823.3
BDBM189510
Wt: 923.5
BDBM189550
Wt: 869.4
BDBM189551
Wt: 854.4
BDBM189552
Wt: 852.3
BDBM189474
Displayed 1 to 15 (of 141 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 145089,145093,145164,145183,145184,145193,189543,189546,189549,189473,189510,189550,189551,189552,189474   
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))
BDBM189552
PNG
(US10213433, Compound 114 | 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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<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189551
PNG
(US10213433, Compound 113 | 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.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


Article DOI: 10.1021/jm070034i
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189550
PNG
(US10213433, Compound 112 | US9174982, 112)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CC[C@@H](C4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)15-13-34(42(29-48)32-3-5-35(49)6-4-32)31-54-17-19-55(20-18-54)38-9-11-41(45(27-38)64-39-25-33-14-16-50-46(33)51-30-39)47(58)53-65(61,62)40-10-12-43(44(28-40)57(59)60)52-36-7-8-37(26-36)56-21-23-63-24-22-56/h3-6,9-12,14,16,25,27-28,30,36-37,52H,7-8,13,15,17-24,26,29,31H2,1-2H3,(H,50,51)(H,53,58)/t36-,37+/m1/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


Article DOI: 10.1021/jm070034i
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189549
PNG
(US10213433, Compound 111 | US9174982, 111)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H]4CC[C@H](C4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)15-13-34(42(29-48)32-3-5-35(49)6-4-32)31-54-17-19-55(20-18-54)38-9-11-41(45(27-38)64-39-25-33-14-16-50-46(33)51-30-39)47(58)53-65(61,62)40-10-12-43(44(28-40)57(59)60)52-36-7-8-37(26-36)56-21-23-63-24-22-56/h3-6,9-12,14,16,25,27-28,30,36-37,52H,7-8,13,15,17-24,26,29,31H2,1-2H3,(H,50,51)(H,53,58)/t36-,37+/m0/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


Article DOI: 10.1021/jm070034i
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189546
PNG
(US10213433, Compound 108 | US9174982, 108)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(N)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51ClN8O7S/c1-44(2)13-11-32(38(26-44)30-3-5-33(46)6-4-30)28-52-17-19-53(20-18-52)34-7-9-37(41(24-34)61-35-23-31-12-16-48-42(31)49-27-35)43(55)51-62(58,59)36-8-10-39(40(25-36)54(56)57)50-29-45(47)14-21-60-22-15-45/h3-10,12,16,23-25,27,50H,11,13-15,17-22,26,28-29,47H2,1-2H3,(H,48,49)(H,51,55)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


Article DOI: 10.1021/jm070034i
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189543
PNG
(US10213433, Compound 105 | US9174982, 105)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H]4CCCN(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)17-13-35(43(29-49)33-5-7-36(50)8-6-33)31-55-20-22-56(23-21-55)39-9-11-42(46(27-39)65-40-26-34-14-18-51-47(34)52-30-40)48(59)54-66(62,63)41-10-12-44(45(28-41)58(60)61)53-37-4-3-19-57(32-37)38-15-24-64-25-16-38/h5-12,14,18,26-28,30,37-38,53H,3-4,13,15-17,19-25,29,31-32H2,1-2H3,(H,51,52)(H,54,59)/t37-/m0/s1
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


Article DOI: 10.1021/jm070034i
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189510
PNG
(US10213433, Compound 62 | US9174982, 62)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC#N)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H43ClN8O6S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-49-18-20-50(21-19-49)32-8-10-35(39(23-32)57-33-22-29-13-17-46-40(29)47-26-33)41(52)48-58(55,56)34-9-11-37(45-16-3-15-44)38(24-34)51(53)54/h4-11,13,17,22-24,26,45H,3,12,14,16,18-21,25,27H2,1-2H3,(H,46,47)(H,48,52)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


Article DOI: 10.1021/jm070034i
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189473
PNG
(US10213433, Compound 25 | US9174982, 25)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1/C44H48ClN7O8S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)27-50-15-17-51(18-16-50)33-7-9-37(41(22-33)60-34-21-30-12-14-46-42(30)48-25-34)43(53)49-61(56,57)36-8-10-39(40(23-36)52(54)55)47-26-35-28-58-19-20-59-35/h3-10,12,14,21-23,25,35,47H,11,13,15-20,24,26-28H2,1-2H3,(H,46,48)(H,49,53)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


Article DOI: 10.1021/jm070034i
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189552
PNG
(US10213433, Compound 114 | 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.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


Article DOI: 10.1021/jm070034i
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189551
PNG
(US10213433, Compound 113 | 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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<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189550
PNG
(US10213433, Compound 112 | US9174982, 112)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@@H]4CC[C@@H](C4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)15-13-34(42(29-48)32-3-5-35(49)6-4-32)31-54-17-19-55(20-18-54)38-9-11-41(45(27-38)64-39-25-33-14-16-50-46(33)51-30-39)47(58)53-65(61,62)40-10-12-43(44(28-40)57(59)60)52-36-7-8-37(26-36)56-21-23-63-24-22-56/h3-6,9-12,14,16,25,27-28,30,36-37,52H,7-8,13,15,17-24,26,29,31H2,1-2H3,(H,50,51)(H,53,58)/t36-,37+/m1/s1
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<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189549
PNG
(US10213433, Compound 111 | US9174982, 111)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H]4CC[C@H](C4)N4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)15-13-34(42(29-48)32-3-5-35(49)6-4-32)31-54-17-19-55(20-18-54)38-9-11-41(45(27-38)64-39-25-33-14-16-50-46(33)51-30-39)47(58)53-65(61,62)40-10-12-43(44(28-40)57(59)60)52-36-7-8-37(26-36)56-21-23-63-24-22-56/h3-6,9-12,14,16,25,27-28,30,36-37,52H,7-8,13,15,17-24,26,29,31H2,1-2H3,(H,50,51)(H,53,58)/t36-,37+/m0/s1
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<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189546
PNG
(US10213433, Compound 108 | US9174982, 108)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(N)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51ClN8O7S/c1-44(2)13-11-32(38(26-44)30-3-5-33(46)6-4-30)28-52-17-19-53(20-18-52)34-7-9-37(41(24-34)61-35-23-31-12-16-48-42(31)49-27-35)43(55)51-62(58,59)36-8-10-39(40(25-36)54(56)57)50-29-45(47)14-21-60-22-15-45/h3-10,12,16,23-25,27,50H,11,13-15,17-22,26,28-29,47H2,1-2H3,(H,48,49)(H,51,55)
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<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189543
PNG
(US10213433, Compound 105 | US9174982, 105)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H]4CCCN(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)17-13-35(43(29-49)33-5-7-36(50)8-6-33)31-55-20-22-56(23-21-55)39-9-11-42(46(27-39)65-40-26-34-14-18-51-47(34)52-30-40)48(59)54-66(62,63)41-10-12-44(45(28-41)58(60)61)53-37-4-3-19-57(32-37)38-15-24-64-25-16-38/h5-12,14,18,26-28,30,37-38,53H,3-4,13,15-17,19-25,29,31-32H2,1-2H3,(H,51,52)(H,54,59)/t37-/m0/s1
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<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189473
PNG
(US10213433, Compound 25 | US9174982, 25)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4COCCO4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1/C44H48ClN7O8S/c1-44(2)13-11-31(38(24-44)29-3-5-32(45)6-4-29)27-50-15-17-51(18-16-50)33-7-9-37(41(22-33)60-34-21-30-12-14-46-42(30)48-25-34)43(53)49-61(56,57)36-8-10-39(40(23-36)52(54)55)47-26-35-28-58-19-20-59-35/h3-10,12,14,21-23,25,35,47H,11,13,15-20,24,26-28H2,1-2H3,(H,46,48)(H,49,53)
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<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189510
PNG
(US10213433, Compound 62 | US9174982, 62)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCC#N)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H43ClN8O6S/c1-42(2)14-12-30(36(25-42)28-4-6-31(43)7-5-28)27-49-18-20-50(21-19-49)32-8-10-35(39(23-32)57-33-22-29-13-17-46-40(29)47-26-33)41(52)48-58(55,56)34-9-11-37(45-16-3-15-44)38(24-34)51(53)54/h4-11,13,17,22-24,26,45H,3,12,14,16,18-21,25,27H2,1-2H3,(H,46,47)(H,48,52)
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<0.0100<-15.0n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189474
PNG
(US10213433, Compound 26 | US9174982, 26)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC(F)(F)F)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C41H41ClF3N7O6S/c1-40(2)13-11-28(34(22-40)26-3-5-29(42)6-4-26)24-50-15-17-51(18-16-50)30-7-9-33(37(20-30)58-31-19-27-12-14-46-38(27)47-23-31)39(53)49-59(56,57)32-8-10-35(36(21-32)52(54)55)48-25-41(43,44)45/h3-10,12,14,19-21,23,48H,11,13,15-18,22,24-25H2,1-2H3,(H,46,47)(H,49,53)
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0.0110 -14.9n/an/an/an/an/an/a25



ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189474
PNG
(US10213433, Compound 26 | US9174982, 26)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC(F)(F)F)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C41H41ClF3N7O6S/c1-40(2)13-11-28(34(22-40)26-3-5-29(42)6-4-26)24-50-15-17-51(18-16-50)30-7-9-33(37(20-30)58-31-19-27-12-14-46-38(27)47-23-31)39(53)49-59(56,57)32-8-10-35(36(21-32)52(54)55)48-25-41(43,44)45/h3-10,12,14,19-21,23,48H,11,13,15-18,22,24-25H2,1-2H3,(H,46,47)(H,49,53)
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US Patent
0.0110n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


Article DOI: 10.1021/jm070034i
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145089
PNG
(US8952157, 279 | US9303025, 279)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cncc(N)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H50ClN7O7S/c1-43(2)14-11-31(38(24-43)30-3-5-32(44)6-4-30)28-49-15-17-50(18-16-49)34-7-9-37(41(22-34)58-35-21-33(45)26-46-27-35)42(52)48-59(55,56)36-8-10-39(40(23-36)51(53)54)47-25-29-12-19-57-20-13-29/h3-10,21-23,26-27,29,47H,11-20,24-25,28,45H2,1-2H3,(H,48,52)
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1.70 -12.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145089
PNG
(US8952157, 279 | US9303025, 279)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cncc(N)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H50ClN7O7S/c1-43(2)14-11-31(38(24-43)30-3-5-32(44)6-4-30)28-49-15-17-50(18-16-49)34-7-9-37(41(22-34)58-35-21-33(45)26-46-27-35)42(52)48-59(55,56)36-8-10-39(40(23-36)51(53)54)47-25-29-12-19-57-20-13-29/h3-10,21-23,26-27,29,47H,11-20,24-25,28,45H2,1-2H3,(H,48,52)
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1.70 -12.0n/an/an/an/an/an/a25



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

US Patent


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


US Patent US8952157 (2015)


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


(Homo sapiens (Human))
BDBM145183
PNG
(US8952157, 374 | US9303025, 374)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(NC4CC4)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H54ClN7O7S/c1-46(2)18-15-33(40(27-46)32-3-5-34(47)6-4-32)30-52-19-21-53(22-20-52)36-9-12-39(43(25-36)61-37-10-14-44(49-29-37)50-35-7-8-35)45(55)51-62(58,59)38-11-13-41(42(26-38)54(56)57)48-28-31-16-23-60-24-17-31/h3-6,9-14,25-26,29,31,35,48H,7-8,15-24,27-28,30H2,1-2H3,(H,49,50)(H,51,55)
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5.34 -11.3n/an/an/an/an/an/a25



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

US Patent


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


US Patent US8952157 (2015)


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


(Homo sapiens (Human))
BDBM145183
PNG
(US8952157, 374 | US9303025, 374)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(NC4CC4)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H54ClN7O7S/c1-46(2)18-15-33(40(27-46)32-3-5-34(47)6-4-32)30-52-19-21-53(22-20-52)36-9-12-39(43(25-36)61-37-10-14-44(49-29-37)50-35-7-8-35)45(55)51-62(58,59)38-11-13-41(42(26-38)54(56)57)48-28-31-16-23-60-24-17-31/h3-6,9-14,25-26,29,31,35,48H,7-8,15-24,27-28,30H2,1-2H3,(H,49,50)(H,51,55)
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5.34 -11.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145193
PNG
(US8952157, 384 | US9303025, 384)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2N7O7S/c1-45(2)15-11-31(37(25-45)30-3-5-32(46)6-4-30)28-52-17-19-53(20-18-52)33-7-9-35(40(23-33)61-41-27-50-43-36(42(41)47)12-16-48-43)44(55)51-62(58,59)34-8-10-38(39(24-34)54(56)57)49-26-29-13-21-60-22-14-29/h3-10,12,16,23-24,27,29,49H,11,13-15,17-22,25-26,28H2,1-2H3,(H,48,50)(H,51,55)
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6.23 -11.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145193
PNG
(US8952157, 384 | US9303025, 384)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3Cl)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2N7O7S/c1-45(2)15-11-31(37(25-45)30-3-5-32(46)6-4-30)28-52-17-19-53(20-18-52)33-7-9-35(40(23-33)61-41-27-50-43-36(42(41)47)12-16-48-43)44(55)51-62(58,59)34-8-10-38(39(24-34)54(56)57)49-26-29-13-21-60-22-14-29/h3-10,12,16,23-24,27,29,49H,11,13-15,17-22,25-26,28H2,1-2H3,(H,48,50)(H,51,55)
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6.23 -11.2n/an/an/an/an/an/a25



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

US Patent


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


US Patent US8952157 (2015)


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


(Homo sapiens (Human))
BDBM145164
PNG
(US8952157, 355 | US9303025, 355)
Show SMILES CC(=O)Nc1ccc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)cn1
Show InChI InChI=1S/C45H52ClN7O8S/c1-30(54)49-43-13-9-36(28-48-43)61-42-24-35(52-20-18-51(19-21-52)29-33-14-17-45(2,3)26-39(33)32-4-6-34(46)7-5-32)8-11-38(42)44(55)50-62(58,59)37-10-12-40(41(25-37)53(56)57)47-27-31-15-22-60-23-16-31/h4-13,24-25,28,31,47H,14-23,26-27,29H2,1-3H3,(H,50,55)(H,48,49,54)
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9.57 -10.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145164
PNG
(US8952157, 355 | US9303025, 355)
Show SMILES CC(=O)Nc1ccc(Oc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)cn1
Show InChI InChI=1S/C45H52ClN7O8S/c1-30(54)49-43-13-9-36(28-48-43)61-42-24-35(52-20-18-51(19-21-52)29-33-14-17-45(2,3)26-39(33)32-4-6-34(46)7-5-32)8-11-38(42)44(55)50-62(58,59)37-10-12-40(41(25-37)53(56)57)47-27-31-15-22-60-23-16-31/h4-13,24-25,28,31,47H,14-23,26-27,29H2,1-3H3,(H,50,55)(H,48,49,54)
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9.57 -10.9n/an/an/an/an/an/a25



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

US Patent


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


US Patent US8952157 (2015)


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


(Homo sapiens (Human))
BDBM145093
PNG
(US8952157, 283 | US9303025, 283)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(O)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H49ClN6O8S/c1-43(2)16-13-31(37(25-43)30-3-5-32(44)6-4-30)28-48-17-19-49(20-18-48)33-7-10-36(40(23-33)58-34-8-12-41(51)46-27-34)42(52)47-59(55,56)35-9-11-38(39(24-35)50(53)54)45-26-29-14-21-57-22-15-29/h3-12,23-24,27,29,45H,13-22,25-26,28H2,1-2H3,(H,46,51)(H,47,52)
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17.2 -10.6n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145093
PNG
(US8952157, 283 | US9303025, 283)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc(O)nc3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H49ClN6O8S/c1-43(2)16-13-31(37(25-43)30-3-5-32(44)6-4-30)28-48-17-19-49(20-18-48)33-7-10-36(40(23-33)58-34-8-12-41(51)46-27-34)42(52)47-59(55,56)35-9-11-38(39(24-35)50(53)54)45-26-29-14-21-57-22-15-29/h3-12,23-24,27,29,45H,13-22,25-26,28H2,1-2H3,(H,46,51)(H,47,52)
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17.2 -10.6n/an/an/an/an/an/a25



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

US Patent


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


US Patent US8952157 (2015)


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


(Homo sapiens (Human))
BDBM145184
PNG
(US8952157, 375 | US9303025, 375)
Show SMILES COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc(NCC(F)F)nc2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C47H56ClF2N7O7S/c1-47(2)19-18-33(40(26-47)32-6-8-34(48)9-7-32)30-55-20-22-56(23-21-55)35-10-15-39(43(24-35)64-37-13-17-45(52-28-37)53-29-44(49)50)46(58)54-65(61,62)38-14-16-41(42(25-38)57(59)60)51-27-31-4-11-36(63-3)12-5-31/h6-10,13-17,24-25,28,31,36,44,51H,4-5,11-12,18-23,26-27,29-30H2,1-3H3,(H,52,53)(H,54,58)
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328 -8.84n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145184
PNG
(US8952157, 375 | US9303025, 375)
Show SMILES COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2ccc(NCC(F)F)nc2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C47H56ClF2N7O7S/c1-47(2)19-18-33(40(26-47)32-6-8-34(48)9-7-32)30-55-20-22-56(23-21-55)35-10-15-39(43(24-35)64-37-13-17-45(52-28-37)53-29-44(49)50)46(58)54-65(61,62)38-14-16-41(42(25-38)57(59)60)51-27-31-4-11-36(63-3)12-5-31/h6-10,13-17,24-25,28,31,36,44,51H,4-5,11-12,18-23,26-27,29-30H2,1-3H3,(H,52,53)(H,54,58)
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US Patent
328 -8.84n/an/an/an/an/an/a25



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

US Patent


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


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair