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33 similar compounds to monomer 178891

Compile data set for download or QSAR
Wt: 888.2
BDBM145158
Wt: 919.3
BDBM145209
Wt: 951.3
BDBM145212
Wt: 904.2
BDBM145218
Wt: 912.8
BDBM145219
Wt: 894.8
BDBM145135
Wt: 972.3
BDBM145202
Wt: 933.3
BDBM145208
Wt: 876.8
BDBM145112
Wt: 859.8
BDBM178889
Wt: 903.3
BDBM178758
Wt: 859.8
BDBM178855
Wt: 867.4
BDBM178813
Wt: 849.4
BDBM178814
Wt: 908.8
BDBM178862
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 145158,145209,145212,145218,145219,145135,145202,145208,145112,178889,178758,178855,178813,178814,178862   
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


(Mus musculus (Mouse))
BDBM178855
PNG
(US9125913, 427)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48Cl2N6O6S/c1-44(2)15-12-31(36(24-44)30-6-8-32(45)9-7-30)27-51-16-18-52(19-17-51)33-10-11-35(41(22-33)58-40-5-3-4-39-37(40)26-48-49-39)42(53)50-59(54,55)34-23-38(46)43(47-25-34)57-28-29-13-20-56-21-14-29/h3-11,22-23,25-26,29H,12-21,24,27-28H2,1-2H3,(H,48,49)(H,50,53)
PDB

UniProtKB/SwissProt

B.MOAD
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Similars

US Patent
0.00200n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145219
PNG
(US8952157, 410 | US9303025, 410)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H46Cl2F3N5O6S/c1-44(2)23-36(29-3-5-32(46)6-4-29)31(27-60-44)25-54-15-17-55(18-16-54)33-7-8-35(40(20-33)61-41-19-30-11-14-51-39(30)22-38(41)48)42(56)53-62(57,58)34-21-37(47)43(52-24-34)59-26-28-9-12-45(49,50)13-10-28/h3-8,11,14,19-22,24,28,51H,9-10,12-13,15-18,23,25-27H2,1-2H3,(H,53,56)
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US Patent
<0.0100<-15.0n/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))
BDBM145202
PNG
(US8952157, 393 | US9303025, 393)
Show SMILES CN(C)CC(=O)N1CCC(F)(COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc(N)c(Cl)c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C46H54Cl3FN8O6S/c1-45(2)12-11-31(37(24-45)30-5-7-32(47)8-6-30)27-56-17-19-57(20-18-56)33-9-10-36(40(21-33)64-34-22-38(48)42(51)52-25-34)43(60)54-65(61,62)35-23-39(49)44(53-26-35)63-29-46(50)13-15-58(16-14-46)41(59)28-55(3)4/h5-10,21-23,25-26H,11-20,24,27-29H2,1-4H3,(H2,51,52)(H,54,60)
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US Patent
<0.0100<-15.0n/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))
BDBM145208
PNG
(US8952157, 399 | US9303025, 399)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@@H]4CCN(C4)C(CF)CF)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H50Cl3F2N7O5S/c1-44(2)11-9-30(37(20-44)29-3-5-31(45)6-4-29)26-54-13-15-55(16-14-54)32-7-8-36(40(17-32)61-34-18-38(46)41(50)51-23-34)42(57)53-62(58,59)35-19-39(47)43(52-24-35)60-27-28-10-12-56(25-28)33(21-48)22-49/h3-8,17-19,23-24,28,33H,9-16,20-22,25-27H2,1-2H3,(H2,50,51)(H,53,57)/t28-/m1/s1
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US Patent
<0.0100<-15.0n/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))
BDBM145219
PNG
(US8952157, 410 | US9303025, 410)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H46Cl2F3N5O6S/c1-44(2)23-36(29-3-5-32(46)6-4-29)31(27-60-44)25-54-15-17-55(18-16-54)33-7-8-35(40(20-33)61-41-19-30-11-14-51-39(30)22-38(41)48)42(56)53-62(57,58)34-21-37(47)43(52-24-34)59-26-28-9-12-45(49,50)13-10-28/h3-8,11,14,19-22,24,28,51H,9-10,12-13,15-18,23,25-27H2,1-2H3,(H,53,56)
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US Patent
<0.0100<-15.0n/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))
BDBM145208
PNG
(US8952157, 399 | US9303025, 399)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@@H]4CCN(C4)C(CF)CF)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H50Cl3F2N7O5S/c1-44(2)11-9-30(37(20-44)29-3-5-31(45)6-4-29)26-54-13-15-55(16-14-54)32-7-8-36(40(17-32)61-34-18-38(46)41(50)51-23-34)42(57)53-62(58,59)35-19-39(47)43(52-24-35)60-27-28-10-12-56(25-28)33(21-48)22-49/h3-8,17-19,23-24,28,33H,9-16,20-22,25-27H2,1-2H3,(H2,50,51)(H,53,57)/t28-/m1/s1
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US Patent
<0.0100<-15.0n/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))
BDBM145202
PNG
(US8952157, 393 | US9303025, 393)
Show SMILES CN(C)CC(=O)N1CCC(F)(COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc(N)c(Cl)c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C46H54Cl3FN8O6S/c1-45(2)12-11-31(37(24-45)30-5-7-32(47)8-6-30)27-56-17-19-57(20-18-56)33-9-10-36(40(21-33)64-34-22-38(48)42(51)52-25-34)43(60)54-65(61,62)35-23-39(49)44(53-26-35)63-29-46(50)13-15-58(16-14-46)41(59)28-55(3)4/h5-10,21-23,25-26H,11-20,24,27-29H2,1-4H3,(H2,51,52)(H,54,60)
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US Patent
<0.0100<-15.0n/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))
BDBM145158
PNG
(US8952157, 349 | US9303025, 349)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H46Cl3FN6O6S/c1-41(2)10-9-28(34(22-41)27-3-5-29(43)6-4-27)25-51-13-15-52(16-14-51)30-7-8-33(37(19-30)58-31-20-35(44)38(47)48-23-31)39(53)50-59(54,55)32-21-36(45)40(49-24-32)57-26-42(46)11-17-56-18-12-42/h3-8,19-21,23-24H,9-18,22,25-26H2,1-2H3,(H2,47,48)(H,50,53)
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US Patent
0.0190 -14.6n/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))
BDBM145158
PNG
(US8952157, 349 | US9303025, 349)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C42H46Cl3FN6O6S/c1-41(2)10-9-28(34(22-41)27-3-5-29(43)6-4-27)25-51-13-15-52(16-14-51)30-7-8-33(37(19-30)58-31-20-35(44)38(47)48-23-31)39(53)50-59(54,55)32-21-36(45)40(49-24-32)57-26-42(46)11-17-56-18-12-42/h3-8,19-21,23-24H,9-18,22,25-26H2,1-2H3,(H2,47,48)(H,50,53)
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US Patent
0.0190 -14.6n/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))
BDBM145135
PNG
(US8952157, 326 | US9303025, 326)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H47Cl2F2N5O6S/c1-44(2)11-9-31(36(25-44)29-3-5-32(46)6-4-29)27-53-15-17-54(18-16-53)33-7-8-35(40(22-33)60-41-21-30-10-14-50-39(30)24-38(41)48)42(55)52-61(56,57)34-23-37(47)43(51-26-34)59-28-45(49)12-19-58-20-13-45/h3-8,10,14,21-24,26,50H,9,11-13,15-20,25,27-28H2,1-2H3,(H,52,55)
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US Patent
0.0370 -14.2n/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))
BDBM145135
PNG
(US8952157, 326 | US9303025, 326)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H47Cl2F2N5O6S/c1-44(2)11-9-31(36(25-44)29-3-5-32(46)6-4-29)27-53-15-17-54(18-16-53)33-7-8-35(40(22-33)60-41-21-30-10-14-50-39(30)24-38(41)48)42(55)52-61(56,57)34-23-37(47)43(51-26-34)59-28-45(49)12-19-58-20-13-45/h3-8,10,14,21-24,26,50H,9,11-13,15-20,25,27-28H2,1-2H3,(H,52,55)
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US Patent
0.0370 -14.2n/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


(Mus musculus (Mouse))
BDBM178862
PNG
(US9125913, 434)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(O[C@@H]4CCN(C4)C(CF)CF)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2F2N7O5S/c1-45(2)14-12-30(37(22-45)29-6-8-31(46)9-7-29)27-54-16-18-55(19-17-54)32-10-11-36(42(20-32)61-41-5-3-4-40-38(41)26-51-52-40)43(57)53-62(58,59)35-21-39(47)44(50-25-35)60-34-13-15-56(28-34)33(23-48)24-49/h3-11,20-21,25-26,33-34H,12-19,22-24,27-28H2,1-2H3,(H,51,52)(H,53,57)/t34-/m1/s1
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US Patent
0.0520n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178813
PNG
(US9125913, 385)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(c3)C#N)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H48ClFN6O6S/c1-45(2)13-11-33(40(26-45)31-3-5-35(47)6-4-31)29-53-17-19-54(20-18-53)36-7-9-39(42(25-36)60-37-8-10-41-32(23-37)12-16-50-41)43(55)52-61(56,57)38-24-34(27-49)44(51-28-38)59-30-46(48)14-21-58-22-15-46/h3-10,12,16,23-25,28,50H,11,13-15,17-22,26,29-30H2,1-2H3,(H,52,55)
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US Patent
0.0620n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145209
PNG
(US8952157, 400 | US9303025, 400)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@@H]4CCN(CC(F)F)C4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H48Cl3F2N7O5S/c1-43(2)11-9-29(35(20-43)28-3-5-30(44)6-4-28)24-53-13-15-55(16-14-53)31-7-8-34(38(17-31)60-32-18-36(45)40(49)50-21-32)41(56)52-61(57,58)33-19-37(46)42(51-22-33)59-26-27-10-12-54(23-27)25-39(47)48/h3-8,17-19,21-22,27,39H,9-16,20,23-26H2,1-2H3,(H2,49,50)(H,52,56)/t27-/m1/s1
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US Patent
0.0820 -13.8n/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))
BDBM145209
PNG
(US8952157, 400 | US9303025, 400)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@@H]4CCN(CC(F)F)C4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H48Cl3F2N7O5S/c1-43(2)11-9-29(35(20-43)28-3-5-30(44)6-4-28)24-53-13-15-55(16-14-53)31-7-8-34(38(17-31)60-32-18-36(45)40(49)50-21-32)41(56)52-61(57,58)33-19-37(46)42(51-22-33)59-26-27-10-12-54(23-27)25-39(47)48/h3-8,17-19,21-22,27,39H,9-16,20,23-26H2,1-2H3,(H2,49,50)(H,52,56)/t27-/m1/s1
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0.0820 -13.8n/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))
BDBM145112
PNG
(US8952157, 303 | US8952157, 304 | US9303025, 303)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2FN5O6S/c1-45(2)13-9-32(37(25-45)30-3-5-33(46)6-4-30)27-52-15-17-53(18-16-52)34-7-8-36(41(22-34)59-42-21-31-10-14-49-40(31)24-39(42)48)43(54)51-60(55,56)35-23-38(47)44(50-26-35)58-28-29-11-19-57-20-12-29/h3-8,10,14,21-24,26,29,49H,9,11-13,15-20,25,27-28H2,1-2H3,(H,51,54)
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0.0920 -13.7n/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))
BDBM145112
PNG
(US8952157, 303 | US8952157, 304 | US9303025, 303)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2FN5O6S/c1-45(2)13-9-32(37(25-45)30-3-5-33(46)6-4-30)27-52-15-17-53(18-16-52)34-7-8-36(41(22-34)59-42-21-31-10-14-49-40(31)24-39(42)48)43(54)51-60(55,56)35-23-38(47)44(50-26-35)58-28-29-11-19-57-20-12-29/h3-8,10,14,21-24,26,29,49H,9,11-13,15-20,25,27-28H2,1-2H3,(H,51,54)
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0.0920 -13.7n/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


(Mus musculus (Mouse))
BDBM178889
PNG
(US9125913, 461)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCCC4CCCO4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48Cl2N6O6S/c1-44(2)16-14-30(36(25-44)29-8-10-31(45)11-9-29)28-51-17-19-52(20-18-51)32-12-13-35(41(23-32)58-40-7-3-6-39-37(40)27-48-49-39)42(53)50-59(54,55)34-24-38(46)43(47-26-34)57-22-15-33-5-4-21-56-33/h3,6-13,23-24,26-27,33H,4-5,14-22,25,28H2,1-2H3,(H,48,49)(H,50,53)
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0.0930n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178814
PNG
(US9125913, 386)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(c3)C#N)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClN6O6S/c1-46(2)16-12-33(40(26-46)32-6-8-35(47)9-7-32)29-52-18-20-53(21-19-52)36-10-11-39(43(25-36)59-42-5-3-4-41-38(42)13-17-49-41)44(54)51-60(55,56)37-24-34(27-48)45(50-28-37)58-30-31-14-22-57-23-15-31/h3-11,13,17,24-25,28,31,49H,12,14-16,18-23,26,29-30H2,1-2H3,(H,51,54)
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0.239n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178758
PNG
(US9125913, 329)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Br)c3)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49BrClN5O6S/c1-45(2)15-11-33(39(26-45)31-3-5-34(47)6-4-31)28-51-17-19-52(20-18-51)35-7-9-38(42(24-35)58-36-8-10-41-32(23-36)12-16-48-41)43(53)50-59(54,55)37-25-40(46)44(49-27-37)57-29-30-13-21-56-22-14-30/h3-10,12,16,23-25,27,30,48H,11,13-15,17-22,26,28-29H2,1-2H3,(H,50,53)
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0.285n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145218
PNG
(US8952157, 409 | US9303025, 409)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H47Cl3F2N6O5S/c1-42(2)12-11-29(35(22-42)28-3-5-30(44)6-4-28)25-53-15-17-54(18-16-53)31-7-8-34(38(19-31)59-32-20-36(45)39(49)50-23-32)40(55)52-60(56,57)33-21-37(46)41(51-24-33)58-26-27-9-13-43(47,48)14-10-27/h3-8,19-21,23-24,27H,9-18,22,25-26H2,1-2H3,(H2,49,50)(H,52,55)
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0.686 -12.5n/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))
BDBM145218
PNG
(US8952157, 409 | US9303025, 409)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H47Cl3F2N6O5S/c1-42(2)12-11-29(35(22-42)28-3-5-30(44)6-4-28)25-53-15-17-54(18-16-53)31-7-8-34(38(19-31)59-32-20-36(45)39(49)50-23-32)40(55)52-60(56,57)33-21-37(46)41(51-24-33)58-26-27-9-13-43(47,48)14-10-27/h3-8,19-21,23-24,27H,9-18,22,25-26H2,1-2H3,(H2,49,50)(H,52,55)
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0.686 -12.5n/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))
BDBM145112
PNG
(US8952157, 303 | US8952157, 304 | US9303025, 303)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2FN5O6S/c1-45(2)13-9-32(37(25-45)30-3-5-33(46)6-4-30)27-52-15-17-53(18-16-52)34-7-8-36(41(22-34)59-42-21-31-10-14-49-40(31)24-39(42)48)43(54)51-60(55,56)35-23-38(47)44(50-26-35)58-28-29-11-19-57-20-12-29/h3-8,10,14,21-24,26,29,49H,9,11-13,15-20,25,27-28H2,1-2H3,(H,51,54)
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0.822 -12.4n/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))
BDBM145212
PNG
(US8952157, 403 | US9303025, 403)
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(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H49Cl3F3N7O5S/c1-43(2)10-9-29(35(22-43)28-3-5-30(45)6-4-28)25-56-15-17-57(18-16-56)31-7-8-34(38(19-31)62-32-20-36(46)40(51)52-23-32)41(58)54-63(59,60)33-21-37(47)42(53-24-33)61-27-44(50)11-13-55(14-12-44)26-39(48)49/h3-8,19-21,23-24,39H,9-18,22,25-27H2,1-2H3,(H2,51,52)(H,54,58)
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2.14 -11.8n/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))
BDBM145212
PNG
(US8952157, 403 | US9303025, 403)
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(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H49Cl3F3N7O5S/c1-43(2)10-9-29(35(22-43)28-3-5-30(45)6-4-28)25-56-15-17-57(18-16-56)31-7-8-34(38(19-31)62-32-20-36(46)40(51)52-23-32)41(58)54-63(59,60)33-21-37(47)42(53-24-33)61-27-44(50)11-13-55(14-12-44)26-39(48)49/h3-8,19-21,23-24,39H,9-18,22,25-27H2,1-2H3,(H2,51,52)(H,54,58)
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2.14 -11.8n/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-XL


(Mus musculus (Mouse))
BDBM178889
PNG
(US9125913, 461)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCCC4CCCO4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48Cl2N6O6S/c1-44(2)16-14-30(36(25-44)29-8-10-31(45)11-9-29)28-51-17-19-52(20-18-51)32-12-13-35(41(23-32)58-40-7-3-6-39-37(40)27-48-49-39)42(53)50-59(54,55)34-24-38(46)43(47-26-34)57-22-15-33-5-4-21-56-33/h3,6-13,23-24,26-27,33H,4-5,14-22,25,28H2,1-2H3,(H,48,49)(H,50,53)
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3.65n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178862
PNG
(US9125913, 434)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(O[C@@H]4CCN(C4)C(CF)CF)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2F2N7O5S/c1-45(2)14-12-30(37(22-45)29-6-8-31(46)9-7-29)27-54-16-18-55(19-17-54)32-10-11-36(42(20-32)61-41-5-3-4-40-38(41)26-51-52-40)43(57)53-62(58,59)35-21-39(47)44(50-25-35)60-34-13-15-56(28-34)33(23-48)24-49/h3-11,20-21,25-26,33-34H,12-19,22-24,27-28H2,1-2H3,(H,51,52)(H,53,57)/t34-/m1/s1
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75.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178855
PNG
(US9125913, 427)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48Cl2N6O6S/c1-44(2)15-12-31(36(24-44)30-6-8-32(45)9-7-30)27-51-16-18-52(19-17-51)33-10-11-35(41(22-33)58-40-5-3-4-39-37(40)26-48-49-39)42(53)50-59(54,55)34-23-38(46)43(47-25-34)57-28-29-13-20-56-21-14-29/h3-11,22-23,25-26,29H,12-21,24,27-28H2,1-2H3,(H,48,49)(H,50,53)
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85.6n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178814
PNG
(US9125913, 386)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(c3)C#N)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClN6O6S/c1-46(2)16-12-33(40(26-46)32-6-8-35(47)9-7-32)29-52-18-20-53(21-19-52)36-10-11-39(43(25-36)59-42-5-3-4-41-38(42)13-17-49-41)44(54)51-60(55,56)37-24-34(27-48)45(50-28-37)58-30-31-14-22-57-23-15-31/h3-11,13,17,24-25,28,31,49H,12,14-16,18-23,26,29-30H2,1-2H3,(H,51,54)
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118n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178813
PNG
(US9125913, 385)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(c3)C#N)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H48ClFN6O6S/c1-45(2)13-11-33(40(26-45)31-3-5-35(47)6-4-31)29-53-17-19-54(20-18-53)36-7-9-39(42(25-36)60-37-8-10-41-32(23-37)12-16-50-41)43(55)52-61(56,57)38-24-34(27-49)44(51-28-38)59-30-46(48)14-21-58-22-15-46/h3-10,12,16,23-25,28,50H,11,13-15,17-22,26,29-30H2,1-2H3,(H,52,55)
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130n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178758
PNG
(US9125913, 329)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Br)c3)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49BrClN5O6S/c1-45(2)15-11-33(39(26-45)31-3-5-34(47)6-4-31)28-51-17-19-52(20-18-51)35-7-9-38(42(24-35)58-36-8-10-41-32(23-36)12-16-48-41)43(53)50-59(54,55)37-25-40(46)44(49-27-37)57-29-30-13-21-56-22-14-30/h3-10,12,16,23-25,27,30,48H,11,13-15,17-22,26,28-29H2,1-2H3,(H,50,53)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
>660n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair