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Compile Data Set for Download or QSAR

Found 2344 hits of ki for UniProtKB: A0A024R2B3   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
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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<0.00100<-16.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 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))
BDBM356990
PNG
(4-(4-{[2-(4-chlorophenyl)-5-methoxy-5-methylcycloh...)
Show SMILES COC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@@](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)/t31-,46+,47?
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<0.00100n/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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356989
PNG
(4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC[C@H]4CC[C@](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)/t30-,46-
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<0.00100n/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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189800
PNG
(US10213433, Compound 374 | 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

US Patent


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


US Patent US10213433 (2019)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189799
PNG
(US10213433, Compound 373 | 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

US Patent


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


US Patent US10213433 (2019)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356985
PNG
(4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-e...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC[C@H]4CC[C@@](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)/t30-,46+
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<0.00100n/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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
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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<0.00100<-16.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9303025 (2016)


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


(Homo sapiens (Human))
BDBM189804
PNG
(US10213433, Compound 378 | 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
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<0.00100<-16.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 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))
BDBM189804
PNG
(US10213433, Compound 378 | 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
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<0.00100n/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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
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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<0.00100<-16.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189799
PNG
(US10213433, Compound 373 | 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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<0.00100<-16.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189800
PNG
(US10213433, Compound 374 | 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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<0.00100<-16.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189797
PNG
(US9174982, 371 | US9174982, 376)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4CCC(C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H53ClN8O7S/c1-45(2)14-12-33(39(25-45)31-4-6-34(47)7-5-31)29-53-18-20-54(21-19-53)35-8-9-38(41(23-35)62-36-22-32-13-17-48-42(32)50-27-36)44(56)52-63(60,61)37-24-40(55(58)59)43(51-28-37)49-26-30-10-15-46(3,57)16-11-30/h4-9,13,17,22-24,27-28,30,57H,10-12,14-16,18-21,25-26,29H2,1-3H3,(H,48,50)(H,49,51)(H,52,56)
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<0.00100<-16.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189803
PNG
(US9174982, 377)
Show SMILES COC1(C)CCC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)C1)c1ccc(Cl)cc1
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<0.00100<-16.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189567
PNG
(US10213433, Compound 129 | 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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0.00200 -15.9n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9174982 (2015)


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


(Homo sapiens (Human))
BDBM189567
PNG
(US10213433, Compound 129 | 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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US Patent
0.00200n/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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM144855
PNG
(US8952157, 37 | US9303025, 37)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51Cl2N7O7S/c1-51(2)25-26-61-38-12-15-41(32-7-9-34(47)10-8-32)33(27-38)31-53-21-23-54(24-22-53)37-11-14-42(45(29-37)62-39-6-4-5-35(48)28-39)46(56)50-63(59,60)40-13-16-43(44(30-40)55(57)58)49-36-17-19-52(3)20-18-36/h4-16,27-30,36,49H,17-26,31H2,1-3H3,(H,50,56)
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US Patent
0.00500 -15.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9303025 (2016)


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


(Homo sapiens (Human))
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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US Patent
0.00500 -15.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9303025 (2016)


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


(Homo sapiens (Human))
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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US Patent
0.00500 -15.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US8952157 (2015)


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


(Homo sapiens (Human))
BDBM144855
PNG
(US8952157, 37 | US9303025, 37)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51Cl2N7O7S/c1-51(2)25-26-61-38-12-15-41(32-7-9-34(47)10-8-32)33(27-38)31-53-21-23-54(24-22-53)37-11-14-42(45(29-37)62-39-6-4-5-35(48)28-39)46(56)50-63(59,60)40-13-16-43(44(30-40)55(57)58)49-36-17-19-52(3)20-18-36/h4-16,27-30,36,49H,17-26,31H2,1-3H3,(H,50,56)
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US Patent
0.00500 -15.4n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US8952157 (2015)


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


(Homo sapiens (Human))
BDBM145152
PNG
(US8952157, 343 | US9303025, 343)
Show SMILES CN1CCN(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc(N)c(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H49Cl2N9O6S/c1-42(2)13-12-29(35(25-42)28-4-6-30(43)7-5-28)27-50-16-18-51(19-17-50)31-8-10-34(39(22-31)59-32-23-36(44)40(45)46-26-32)41(54)48-60(57,58)33-9-11-37(38(24-33)53(55)56)47-52-20-14-49(3)15-21-52/h4-11,22-24,26,47H,12-21,25,27H2,1-3H3,(H2,45,46)(H,48,54)
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US Patent
0.00900 -15.1n/an/an/an/an/an/a25



AbbVie Inc

US Patent


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


US Patent US9303025 (2016)


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


(Homo sapiens (Human))
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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US Patent
0.00900 -15.1n/an/an/an/an/an/a25



AbbVie Inc

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 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))
BDBM189791
PNG
(US10213433, Compound 369 | US9174982, 364)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H49ClN8O7S/c1-44(2)13-9-32(38(24-44)30-3-5-33(45)6-4-30)28-51-15-17-52(18-16-51)34-7-8-37(40(22-34)60-35-21-31-10-14-46-41(31)48-26-35)43(54)50-61(57,58)36-23-39(53(55)56)42(49-27-36)47-25-29-11-19-59-20-12-29/h3-8,10,14,21-23,26-27,29H,9,11-13,15-20,24-25,28H2,1-2H3,(H,46,48)(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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50162774
PNG
(ABT-199 | VENETOCLAX | Venetoclax)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-2 (unknown origin) by TR-FRET assay


J Med Chem 60: 821-838 (2017)


Article DOI: 10.1021/acs.jmedchem.5b01888
BindingDB Entry DOI: 10.7270/Q2ZC85BP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50162774
PNG
(ABT-199 | VENETOCLAX | Venetoclax)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



Hunan Provinc

Curated by ChEMBL


Assay Description
Inhibition of Bcl-2 (unknown origin) by TR-FRET assay


Eur J Med Chem 146: 471-482 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50162774
PNG
(ABT-199 | VENETOCLAX | Venetoclax)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bcl2 (unknown origin)


J Med Chem 61: 2636-2651 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00717
BindingDB Entry DOI: 10.7270/Q2ZK5K94
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356652
PNG
(US10213433, Compound 34 | trans-4-(4-{[2-(4-chloro...)
Show SMILES CO[C@H]1CC[C@H](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)/t31-,37-
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bcl2 (unknown origin)


J Med Chem 61: 2636-2651 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00717
BindingDB Entry DOI: 10.7270/Q2ZK5K94
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50162774
PNG
(ABT-199 | VENETOCLAX | Venetoclax)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Bcl2 (unknown origin)


J Med Chem 61: 6421-6467 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00180
BindingDB Entry DOI: 10.7270/Q2DJ5J62
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer


(Homo sapiens (Human))
BDBM50270877
PNG
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1
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<0.0100n/an/an/an/an/an/an/an/a



Taros Chemicals GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of BCL-2 (unknown origin) by fluorescence polarization assay


Eur J Med Chem 167: 76-95 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.084
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer


(Homo sapiens (Human))
BDBM50162774
PNG
(ABT-199 | VENETOCLAX | Venetoclax)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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Article
PubMed
<0.0100n/an/an/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of Bcl2 (unknown origin)


Eur J Med Chem 177: 63-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.019
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189712
PNG
(US10213433, Compound 282 | US9174982, 282)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC4)C(CF)CF)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H52Cl2F3N7O5S/c1-46(2)11-9-33(40(24-46)31-3-5-34(48)6-4-31)29-57-17-19-59(20-18-57)35-7-8-39(42(22-35)64-37-21-32-10-14-53-43(32)54-27-37)44(60)56-65(61,62)38-23-41(49)45(55-28-38)63-30-47(52)12-15-58(16-13-47)36(25-50)26-51/h3-8,10,14,21-23,27-28,36H,9,11-13,15-20,24-26,29-30H2,1-2H3,(H,53,54)(H,56,60)
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US Patent
<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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189713
PNG
(US10213433, Compound 283 | US9174982, 283)
Show SMILES CN1CCC(F)(COc2ccc(cc2Cl)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/C46H51Cl2FN6O5S/c1-45(2)14-12-33(39(27-45)31-4-6-34(47)7-5-31)29-54-20-22-55(23-21-54)35-8-10-38(42(25-35)60-36-24-32-13-17-50-43(32)51-28-36)44(56)52-61(57,58)37-9-11-41(40(48)26-37)59-30-46(49)15-18-53(3)19-16-46/h4-11,13,17,24-26,28H,12,14-16,18-23,27,29-30H2,1-3H3,(H,50,51)(H,52,56)
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189715
PNG
(US10213433, Compound 285 | US9174982, 285)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC(F)F)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50Cl2F3N7O5S/c1-45(2)11-9-32(38(24-45)30-3-5-33(47)6-4-30)27-57-17-19-58(20-18-57)34-7-8-37(40(22-34)63-35-21-31-10-14-52-42(31)53-25-35)43(59)55-64(60,61)36-23-39(48)44(54-26-36)62-29-46(51)12-15-56(16-13-46)28-41(49)50/h3-8,10,14,21-23,25-26,41H,9,11-13,15-20,24,27-29H2,1-2H3,(H,52,53)(H,55,59)
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189716
PNG
(US10213433, Compound 286 | US9174982, 286)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2FN5O6S/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)59-35-23-31-12-16-49-42(31)50-27-35)43(54)51-60(55,56)36-8-10-40(39(47)25-36)58-29-45(48)14-21-57-22-15-45/h3-10,12,16,23-25,27H,11,13-15,17-22,26,28-29H2,1-2H3,(H,49,50)(H,51,54)
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189720
PNG
(US10213433, Compound 290 | US9174982, 290)
Show SMILES CC1CN(CCN1CC1=C(CC(C)(C)CC1)c1ccc(Cl)cc1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2cnc3[nH]ccc3c2)c1
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189721
PNG
(US10213433, Compound 291 | US9174982, 291)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCNC4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H51ClN8O6S/c1-45(2)16-14-32(39(27-45)30-4-6-33(46)7-5-30)29-52-20-22-53(23-21-52)35-10-12-38(42(25-35)60-36-24-31-15-19-49-43(31)50-28-36)44(55)51-61(58,59)37-11-13-40(41(26-37)54(56)57)48-18-3-17-47-34-8-9-34/h4-7,10-13,15,19,24-26,28,34,47-48H,3,8-9,14,16-18,20-23,27,29H2,1-2H3,(H,49,50)(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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189725
PNG
(US10213433, Compound 295 | US9174982, 295)
Show SMILES CN(C)CC(=O)N1CCC(COc2ccc(cc2Cl)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/C49H57Cl2N7O6S/c1-49(2)17-13-36(42(28-49)34-5-7-37(50)8-6-34)30-56-21-23-57(24-22-56)38-9-11-41(45(26-38)64-39-25-35-14-18-52-47(35)53-29-39)48(60)54-65(61,62)40-10-12-44(43(51)27-40)63-32-33-15-19-58(20-16-33)46(59)31-55(3)4/h5-12,14,18,25-27,29,33H,13,15-17,19-24,28,30-32H2,1-4H3,(H,52,53)(H,54,60)
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189728
PNG
(US10213433, Compound 298 | US9174982, 298)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@H]4CC[C@H](O)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50Cl2N6O6S/c1-45(2)15-13-32(39(24-45)30-5-7-33(46)8-6-30)27-52-17-19-53(20-18-52)34-9-12-38(41(22-34)59-36-21-31-14-16-48-42(31)49-25-36)43(55)51-60(56,57)37-23-40(47)44(50-26-37)58-28-29-3-10-35(54)11-4-29/h5-9,12,14,16,21-23,25-26,29,35,54H,3-4,10-11,13,15,17-20,24,27-28H2,1-2H3,(H,48,49)(H,51,55)/t29-,35-
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189741
PNG
(US10213433, Compound 311 | US9174982, 311)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN(C4CC4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H55ClN8O7S/c1-48(2)16-14-34(42(27-48)32-4-6-35(49)7-5-32)29-54-20-22-55(23-21-54)37-10-12-41(45(25-37)64-39-24-33-15-18-51-46(33)52-28-39)47(58)53-65(61,62)40-11-13-43(44(26-40)57(59)60)50-17-3-19-56(36-8-9-36)38-30-63-31-38/h4-7,10-13,15,18,24-26,28,36,38,50H,3,8-9,14,16-17,19-23,27,29-31H2,1-2H3,(H,51,52)(H,53,58)
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189742
PNG
(US10213433, Compound 312 | US9174982, 312)
Show SMILES CN1CCC[C@H]1C(=O)N1CCC(COc2ccc(cc2Cl)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/C51H59Cl2N7O6S/c1-51(2)18-14-37(43(30-51)35-6-8-38(52)9-7-35)32-58-23-25-59(26-24-58)39-10-12-42(47(28-39)66-40-27-36-15-19-54-48(36)55-31-40)49(61)56-67(63,64)41-11-13-46(44(53)29-41)65-33-34-16-21-60(22-17-34)50(62)45-5-4-20-57(45)3/h6-13,15,19,27-29,31,34,45H,4-5,14,16-18,20-26,30,32-33H2,1-3H3,(H,54,55)(H,56,61)/t45-/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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189747
PNG
(US10213433, Compound 317 | US9174982, 317)
Show SMILES COC(=O)N1CCOC(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
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189748
PNG
(US10213433, Compound 318 | US9174982, 318)
Show SMILES CCN(C)C(=O)N1CCOC(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
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189749
PNG
(US10213433, Compound 319 | US9174982, 319)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189750
PNG
(US10213433, Compound 320 | US9174982, 320)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN(C4CC4)C4CCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H57ClN8O6S/c1-49(2)19-17-35(43(30-49)33-7-9-36(50)10-8-33)32-55-23-25-56(26-24-55)39-13-15-42(46(28-39)64-40-27-34-18-21-52-47(34)53-31-40)48(59)54-65(62,63)41-14-16-44(45(29-41)58(60)61)51-20-4-22-57(38-11-12-38)37-5-3-6-37/h7-10,13-16,18,21,27-29,31,37-38,51H,3-6,11-12,17,19-20,22-26,30,32H2,1-2H3,(H,52,53)(H,54,59)
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189751
PNG
(US10213433, Compound 321 | US9174982, 321)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CCC(F)(F)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C43H44ClF2N7O7S/c44-32-3-1-29(2-4-32)36-9-13-43(45,46)24-31(36)27-51-15-17-52(18-16-51)33-5-7-37(40(22-33)60-34-21-30-10-14-47-41(30)49-26-34)42(54)50-61(57,58)35-6-8-38(39(23-35)53(55)56)48-25-28-11-19-59-20-12-28/h1-8,10,14,21-23,26,28,48H,9,11-13,15-20,24-25,27H2,(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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189752
PNG
(US10213433, Compound 322 | US9174982, 322)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4COC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53Cl2FN6O6S/c1-47(2)13-11-34(41(26-47)32-3-5-35(49)6-4-32)28-55-19-21-57(22-20-55)36-7-9-40(44(24-36)63-38-23-33-12-16-52-45(33)53-27-38)46(58)54-64(59,60)39-8-10-43(42(50)25-39)62-31-48(51)14-17-56(18-15-48)37-29-61-30-37/h3-10,12,16,23-25,27,37H,11,13-15,17-22,26,28-31H2,1-2H3,(H,52,53)(H,54,58)
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189754
PNG
(US10213433, Compound 324 | US9174982, 324)
Show SMILES O[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CCC(F)(F)C3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C44H46ClF2N7O7S/c45-32-5-3-29(4-6-32)37-13-15-44(46,47)24-31(37)27-52-17-19-53(20-18-52)33-7-11-38(41(22-33)61-35-21-30-14-16-48-42(30)50-26-35)43(56)51-62(59,60)36-10-12-39(40(23-36)54(57)58)49-25-28-1-8-34(55)9-2-28/h3-7,10-12,14,16,21-23,26,28,34,49,55H,1-2,8-9,13,15,17-20,24-25,27H2,(H,48,50)(H,51,56)/t28-,34-
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189755
PNG
(US10213433, Compound 325 | US9174982, 325)
Show SMILES FC1(COc2ccc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CCC4(CCN(CC4)C4COC4)C3)c3ccc(Cl)cc3)CC2)CCOCC1
Show InChI InChI=1S/C50H55Cl2FN6O7S/c51-37-3-1-34(2-4-37)42-9-11-49(12-17-58(18-13-49)39-31-64-32-39)28-36(42)30-57-19-21-59(22-20-57)38-5-7-43(46(26-38)66-40-25-35-10-16-54-47(35)55-29-40)48(60)56-67(61,62)41-6-8-45(44(52)27-41)65-33-50(53)14-23-63-24-15-50/h1-8,10,16,25-27,29,39H,9,11-15,17-24,28,30-33H2,(H,54,55)(H,56,60)
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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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189756
PNG
(US10213433, Compound 326 | US9174982, 326)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@@H]4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H53ClN8O7S/c1-47(2)15-13-33(41(26-47)31-3-5-34(48)6-4-31)29-53-17-19-54(20-18-53)36-9-11-40(44(24-36)63-37-23-32-14-16-49-45(32)51-27-37)46(57)52-64(60,61)39-10-12-42(43(25-39)56(58)59)50-28-38-30-55(21-22-62-38)35-7-8-35/h3-6,9-12,14,16,23-25,27,35,38,50H,7-8,13,15,17-22,26,28-30H2,1-2H3,(H,49,51)(H,52,57)/t38-/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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM189757
PNG
(US10213433, Compound 327 | US9174982, 327)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H53ClN8O7S/c1-47(2)15-13-33(41(26-47)31-3-5-34(48)6-4-31)29-53-17-19-54(20-18-53)36-9-11-40(44(24-36)63-37-23-32-14-16-49-45(32)51-27-37)46(57)52-64(60,61)39-10-12-42(43(25-39)56(58)59)50-28-38-30-55(21-22-62-38)35-7-8-35/h3-6,9-12,14,16,23-25,27,35,38,50H,7-8,13,15,17-22,26,28-30H2,1-2H3,(H,49,51)(H,52,57)/t38-/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)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair
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