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26 similar compounds to monomer 178862

Compile data set for download or QSAR
Wt: 919.3
BDBM145209
Wt: 904.2
BDBM145218
Wt: 933.3
BDBM145208
Wt: 879.8
BDBM178893
Wt: 988.4
BDBM178887
Wt: 859.8
BDBM178889
Wt: 893.8
BDBM178891
Wt: 859.8
BDBM178855
Wt: 858.8
BDBM178815
Wt: 877.8
BDBM178871
Wt: 922.9
BDBM178872
Wt: 908.8
BDBM178873
Wt: 883.9
BDBM178876
Wt: 877.8
BDBM178832
Wt: 876.8
BDBM178833
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 145209,145218,145208,178893,178887,178889,178891,178855,178815,178871,178872,178873,178876,178832,178833   
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)
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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


(Mus musculus (Mouse))
BDBM178876
PNG
(US9125913, 448)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC4CCN(CC4)C4CC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52Cl2N8O4S/c1-46(2)17-14-31(38(26-46)30-6-8-32(47)9-7-30)29-54-20-22-56(23-21-54)35-12-13-37(43(24-35)60-42-5-3-4-41-39(42)28-50-52-41)45(57)53-61(58,59)36-25-40(48)44(49-27-36)51-33-15-18-55(19-16-33)34-10-11-34/h3-9,12-13,24-25,27-28,33-34H,10-11,14-23,26,29H2,1-2H3,(H,49,51)(H,50,52)(H,53,57)
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0.00500n/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))
BDBM178891
PNG
(US9125913, 463)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2F2N6O5S/c1-44(2)15-14-31(36(24-44)30-6-8-32(46)9-7-30)26-54-18-20-55(21-19-54)33-10-11-35(40(22-33)60-39-5-3-4-38-41(39)52-28-51-38)42(56)53-61(57,58)34-23-37(47)43(50-25-34)59-27-29-12-16-45(48,49)17-13-29/h3-11,22-23,25,28-29H,12-21,24,26-27H2,1-2H3,(H,51,52)(H,53,56)
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0.00700n/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))
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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<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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<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


(Mus musculus (Mouse))
BDBM178887
PNG
(US9125913, 459)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC4)C(CF)CF)c(c3)C(F)(F)F)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H52ClF6N7O5S/c1-46(2)13-12-32(38(24-46)31-6-8-33(49)9-7-31)29-60-18-20-62(21-19-60)34-10-11-37(43(22-34)67-42-5-3-4-41-39(42)28-57-58-41)44(63)59-68(64,65)36-23-40(48(53,54)55)45(56-27-36)66-30-47(52)14-16-61(17-15-47)35(25-50)26-51/h3-11,22-23,27-28,35H,12-21,24-26,29-30H2,1-2H3,(H,57,58)(H,59,63)
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<0.0100n/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))
BDBM178871
PNG
(US9125913, 443)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47Cl2FN6O6S/c1-43(2)13-12-30(35(24-43)29-6-8-31(45)9-7-29)26-52-16-18-53(19-17-52)32-10-11-34(39(22-32)59-38-5-3-4-37-40(38)50-28-49-37)41(54)51-60(55,56)33-23-36(46)42(48-25-33)58-27-44(47)14-20-57-21-15-44/h3-11,22-23,25,28H,12-21,24,26-27H2,1-2H3,(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
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))
BDBM178832
PNG
(US9125913, 404)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47Cl2FN6O6S/c1-43(2)13-12-30(35(24-43)29-6-8-31(45)9-7-29)27-52-16-18-53(19-17-52)32-10-11-34(40(22-32)59-39-5-3-4-38-36(39)26-49-50-38)41(54)51-60(55,56)33-23-37(46)42(48-25-33)58-28-44(47)14-20-57-21-15-44/h3-11,22-23,25-26H,12-21,24,27-28H2,1-2H3,(H,49,50)(H,51,54)
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0.0120n/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))
BDBM178893
PNG
(US9125913, 465)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H45Cl2FN6O7S/c1-42(2)22-34(28-6-8-30(44)9-7-28)29(26-58-42)25-51-14-16-52(17-15-51)31-10-11-33(39(20-31)59-38-5-3-4-37-35(38)24-48-49-37)40(53)50-60(54,55)32-21-36(45)41(47-23-32)57-27-43(46)12-18-56-19-13-43/h3-11,20-21,23-24H,12-19,22,25-27H2,1-2H3,(H,48,49)(H,50,53)
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0.0250n/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))
BDBM178873
PNG
(US9125913, 445)
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(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2F2N7O5S/c1-45(2)14-12-31(36(22-45)30-6-8-32(46)9-7-30)26-54-16-18-56(19-17-54)33-10-11-35(41(20-33)61-40-5-3-4-39-37(40)24-51-52-39)43(57)53-62(58,59)34-21-38(47)44(50-23-34)60-28-29-13-15-55(25-29)27-42(48)49/h3-11,20-21,23-24,29,42H,12-19,22,25-28H2,1-2H3,(H,51,52)(H,53,57)/t29-/m1/s1
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0.0280n/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))
BDBM178833
PNG
(US9125913, 405)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2FN5O6S/c1-44(2)14-12-31(37(26-44)30-6-8-32(46)9-7-30)28-52-18-20-53(21-19-52)33-10-11-36(41(24-33)59-40-5-3-4-39-35(40)13-17-49-39)42(54)51-60(55,56)34-25-38(47)43(50-27-34)58-29-45(48)15-22-57-23-16-45/h3-11,13,17,24-25,27,49H,12,14-16,18-23,26,28-29H2,1-2H3,(H,51,54)
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0.0400n/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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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))
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.

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=1/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))
BDBM178872
PNG
(US9125913, 444)
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(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51Cl2F2N7O5S/c1-46(2)14-12-32(38(22-46)31-6-8-33(47)9-7-31)28-55-16-18-56(19-17-55)34-10-11-37(43(20-34)62-42-5-3-4-41-39(42)26-52-53-41)44(58)54-63(59,60)36-21-40(48)45(51-25-36)61-29-30-13-15-57(27-30)35(23-49)24-50/h3-11,20-21,25-26,30,35H,12-19,22-24,27-29H2,1-2H3,(H,52,53)(H,54,58)/t30-/m1/s1
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0.112n/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))
BDBM178815
PNG
(US9125913, 387)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2N5O6S/c1-45(2)16-12-32(38(26-45)31-6-8-33(46)9-7-31)28-51-18-20-52(21-19-51)34-10-11-37(42(24-34)58-41-5-3-4-40-36(41)13-17-48-40)43(53)50-59(54,55)35-25-39(47)44(49-27-35)57-29-30-14-22-56-23-15-30/h3-11,13,17,24-25,27,30,48H,12,14-16,18-23,26,28-29H2,1-2H3,(H,50,53)
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0.162n/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-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=1/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))
BDBM178887
PNG
(US9125913, 459)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCN(CC4)C(CF)CF)c(c3)C(F)(F)F)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H52ClF6N7O5S/c1-46(2)13-12-32(38(24-46)31-6-8-33(49)9-7-31)29-60-18-20-62(21-19-60)34-10-11-37(43(22-34)67-42-5-3-4-41-39(42)28-57-58-41)44(63)59-68(64,65)36-23-40(48(53,54)55)45(56-27-36)66-30-47(52)14-16-61(17-15-47)35(25-50)26-51/h3-11,22-23,27-28,35H,12-21,24-26,29-30H2,1-2H3,(H,57,58)(H,59,63)
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5.42n/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))
BDBM178873
PNG
(US9125913, 445)
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(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2F2N7O5S/c1-45(2)14-12-31(36(22-45)30-6-8-32(46)9-7-30)26-54-16-18-56(19-17-54)33-10-11-35(41(20-33)61-40-5-3-4-39-37(40)24-51-52-39)43(57)53-62(58,59)34-21-38(47)44(50-23-34)60-28-29-13-15-55(25-29)27-42(48)49/h3-11,20-21,23-24,29,42H,12-19,22,25-28H2,1-2H3,(H,51,52)(H,53,57)/t29-/m1/s1
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13.6n/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))
BDBM178876
PNG
(US9125913, 448)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(NC4CCN(CC4)C4CC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52Cl2N8O4S/c1-46(2)17-14-31(38(26-46)30-6-8-32(47)9-7-30)29-54-20-22-56(23-21-54)35-12-13-37(43(24-35)60-42-5-3-4-41-39(42)28-50-52-41)45(57)53-61(58,59)36-25-40(48)44(49-27-36)51-33-15-18-55(19-16-33)34-10-11-34/h3-9,12-13,24-25,27-28,33-34H,10-11,14-23,26,29H2,1-2H3,(H,49,51)(H,50,52)(H,53,57)
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14.6n/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))
BDBM178871
PNG
(US9125913, 443)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47Cl2FN6O6S/c1-43(2)13-12-30(35(24-43)29-6-8-31(45)9-7-29)26-52-16-18-53(19-17-52)32-10-11-34(39(22-32)59-38-5-3-4-37-40(38)50-28-49-37)41(54)51-60(55,56)33-23-36(46)42(48-25-33)58-27-44(47)14-20-57-21-15-44/h3-11,22-23,25,28H,12-21,24,26-27H2,1-2H3,(H,49,50)(H,51,54)
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19.4n/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))
BDBM178832
PNG
(US9125913, 404)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H47Cl2FN6O6S/c1-43(2)13-12-30(35(24-43)29-6-8-31(45)9-7-29)27-52-16-18-53(19-17-52)32-10-11-34(40(22-32)59-39-5-3-4-38-36(39)26-49-50-38)41(54)51-60(55,56)33-23-37(46)42(48-25-33)58-28-44(47)14-20-57-21-15-44/h3-11,22-23,25-26H,12-21,24,27-28H2,1-2H3,(H,49,50)(H,51,54)
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30.3n/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))
BDBM178893
PNG
(US9125913, 465)
Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ncc34)c2)CO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H45Cl2FN6O7S/c1-42(2)22-34(28-6-8-30(44)9-7-28)29(26-58-42)25-51-14-16-52(17-15-51)31-10-11-33(39(20-31)59-38-5-3-4-37-35(38)24-48-49-37)40(53)50-60(54,55)32-21-36(45)41(47-23-32)57-27-43(46)12-18-56-19-13-43/h3-11,20-21,23-24H,12-19,22,25-27H2,1-2H3,(H,48,49)(H,50,53)
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37.2n/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))
BDBM178891
PNG
(US9125913, 463)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCC(F)(F)CC4)c(Cl)c3)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2F2N6O5S/c1-44(2)15-14-31(36(24-44)30-6-8-32(46)9-7-30)26-54-18-20-55(21-19-54)33-10-11-35(40(22-33)60-39-5-3-4-38-41(39)52-28-51-38)42(56)53-61(57,58)34-23-37(47)43(50-25-34)59-27-29-12-16-45(48,49)17-13-29/h3-11,22-23,25,28-29H,12-21,24,26-27H2,1-2H3,(H,51,52)(H,53,56)
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43.9n/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))
BDBM178833
PNG
(US9125913, 405)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48Cl2FN5O6S/c1-44(2)14-12-31(37(26-44)30-6-8-32(46)9-7-30)28-52-18-20-53(21-19-52)33-10-11-36(41(24-33)59-40-5-3-4-39-35(40)13-17-49-39)42(54)51-60(55,56)34-25-38(47)43(50-27-34)58-29-45(48)15-22-57-23-16-45/h3-11,13,17,24-25,27,49H,12,14-16,18-23,26,28-29H2,1-2H3,(H,51,54)
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55.3n/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))
BDBM178872
PNG
(US9125913, 444)
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(Oc3cccc4[nH]ncc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51Cl2F2N7O5S/c1-46(2)14-12-32(38(22-46)31-6-8-33(47)9-7-31)28-55-16-18-56(19-17-55)34-10-11-37(43(20-34)62-42-5-3-4-41-39(42)26-52-53-41)44(58)54-63(59,60)36-21-40(48)45(51-25-36)61-29-30-13-15-57(27-30)35(23-49)24-50/h3-11,20-21,25-26,30,35H,12-19,22-24,27-29H2,1-2H3,(H,52,53)(H,54,58)/t30-/m1/s1
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81.5n/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))
BDBM178815
PNG
(US9125913, 387)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4CCOCC4)c(Cl)c3)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49Cl2N5O6S/c1-45(2)16-12-32(38(26-45)31-6-8-33(46)9-7-31)28-51-18-20-52(21-19-51)34-10-11-37(42(24-34)58-41-5-3-4-40-36(41)13-17-48-40)43(53)50-59(54,55)35-25-39(47)44(49-27-35)57-29-30-14-22-56-23-15-30/h3-11,13,17,24-25,27,30,48H,12,14-16,18-23,26,28-29H2,1-2H3,(H,50,53)
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280n/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