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Compile Data Set for Download or QSAR

Found 434 hits of ec50 data for polymerid = 3744,3987,7709,8553   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM209227
PNG
(US9266877, 173)
Show SMILES Cc1c(cnn1CC1(CCCCCC1)OCC1COCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C40H44N6O6S/c1-26-31(21-41-46(26)25-40(16-6-2-3-7-17-40)52-24-28-23-50-19-20-51-28)29-13-14-35(43-36(29)38(48)49)45-18-15-27-9-8-10-30(32(27)22-45)37(47)44-39-42-33-11-4-5-12-34(33)53-39/h4-5,8-14,21,28H,2-3,6-7,15-20,22-25H2,1H3,(H,48,49)(H,42,44,47)
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n/an/an/an/a 0.100n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209199
PNG
(US9266877, 145)
Show SMILES Cc1c(cnn1CC1(CCCC(C)(C)C1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C40H45N7O4S/c1-26-30(22-41-47(26)25-40(46-18-20-51-21-19-46)16-7-15-39(2,3)24-40)28-12-13-34(43-35(28)37(49)50)45-17-14-27-8-6-9-29(31(27)23-45)36(48)44-38-42-32-10-4-5-11-33(32)52-38/h4-6,8-13,22H,7,14-21,23-25H2,1-3H3,(H,49,50)(H,42,44,48)
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n/an/an/an/a 0.200n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209232
PNG
(US9266877, 178)
Show SMILES Cc1c(cnn1CC1(CCCC(C)(C)C1)OCCS(C)(=O)=O)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C39H44N6O6S2/c1-25-29(21-40-45(25)24-39(51-19-20-53(4,49)50)17-8-16-38(2,3)23-39)27-13-14-33(42-34(27)36(47)48)44-18-15-26-9-7-10-28(30(26)22-44)35(46)43-37-41-31-11-5-6-12-32(31)52-37/h5-7,9-14,21H,8,15-20,22-24H2,1-4H3,(H,47,48)(H,41,43,46)
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n/an/an/an/a 0.200n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209211
PNG
(US9266877, 157)
Show SMILES COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Show InChI InChI=1/C37H40N6O4S/c1-23-27(19-38-43(23)22-37(47-4)17-8-16-36(2,3)21-37)25-13-14-31(40-32(25)34(45)46)42-18-15-24-9-7-10-26(28(24)20-42)33(44)41-35-39-29-11-5-6-12-30(29)48-35/h5-7,9-14,19H,8,15-18,20-22H2,1-4H3,(H,45,46)(H,39,41,44)
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n/an/an/an/a 0.300n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209224
PNG
(US9266877, 170)
Show SMILES COCC(COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1)OC
Show InChI InChI=1/C40H46N6O6S/c1-26-31(21-41-46(26)25-40(18-8-4-5-9-19-40)52-24-28(51-3)23-50-2)29-15-16-35(43-36(29)38(48)49)45-20-17-27-11-10-12-30(32(27)22-45)37(47)44-39-42-33-13-6-7-14-34(33)53-39/h6-7,10-16,21,28H,4-5,8-9,17-20,22-25H2,1-3H3,(H,48,49)(H,42,44,47)
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n/an/an/an/a 0.5n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209205
PNG
(US9266877, 151)
Show SMILES COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C38H42N6O5S/c1-25-29(22-39-44(25)24-38(49-21-20-48-2)17-7-3-4-8-18-38)27-14-15-33(41-34(27)36(46)47)43-19-16-26-10-9-11-28(30(26)23-43)35(45)42-37-40-31-12-5-6-13-32(31)50-37/h5-6,9-15,22H,3-4,7-8,16-21,23-24H2,1-2H3,(H,46,47)(H,40,42,45)
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n/an/an/an/a 0.600n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209188
PNG
(US9266877, 134)
Show SMILES COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C38H42N6O4S/c1-25-29(22-39-44(25)24-38(19-21-48-2)17-7-3-4-8-18-38)27-14-15-33(41-34(27)36(46)47)43-20-16-26-10-9-11-28(30(26)23-43)35(45)42-37-40-31-12-5-6-13-32(31)49-37/h5-6,9-15,22H,3-4,7-8,16-21,23-24H2,1-2H3,(H,46,47)(H,40,42,45)
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n/an/an/an/a 0.900n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209151
PNG
(US9266877, 97)
Show SMILES COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C38H42N6O4S/c1-25-29(22-39-44(25)24-38(19-9-21-48-2)17-6-3-7-18-38)27-14-15-33(41-34(27)36(46)47)43-20-16-26-10-8-11-28(30(26)23-43)35(45)42-37-40-31-12-4-5-13-32(31)49-37/h4-5,8,10-15,22H,3,6-7,9,16-21,23-24H2,1-2H3,(H,46,47)(H,40,42,45)
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n/an/an/an/a<1n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209206
PNG
(US9266877, 152)
Show SMILES Cc1c(cnn1C(CCN1CCOCC1)C1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C40H45N7O4S/c1-26-31(24-41-47(26)34(28-8-3-2-4-9-28)17-18-45-20-22-51-23-21-45)29-14-15-36(43-37(29)39(49)50)46-19-16-27-10-7-11-30(32(27)25-46)38(48)44-40-42-33-12-5-6-13-35(33)52-40/h5-7,10-15,24,28,34H,2-4,8-9,16-23,25H2,1H3,(H,49,50)(H,42,44,48)
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ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209226
PNG
(US9266877, 172)
Show SMILES COCCOC1(Cn2c(C)c(cc2C#N)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C40H42N6O5S/c1-26-31(22-28(23-41)46(26)25-40(51-21-20-50-2)17-7-3-4-8-18-40)29-14-15-35(43-36(29)38(48)49)45-19-16-27-10-9-11-30(32(27)24-45)37(47)44-39-42-33-12-5-6-13-34(33)52-39/h5-6,9-15,22H,3-4,7-8,16-21,24-25H2,1-2H3,(H,48,49)(H,42,44,47)
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ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209155
PNG
(US9266877, 101)
Show SMILES COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C37H40N6O5S/c1-24-28(21-38-43(24)23-37(48-20-19-47-2)16-6-3-7-17-37)26-13-14-32(40-33(26)35(45)46)42-18-15-25-9-8-10-27(29(25)22-42)34(44)41-36-39-30-11-4-5-12-31(30)49-36/h4-5,8-14,21H,3,6-7,15-20,22-23H2,1-2H3,(H,45,46)(H,39,41,44)
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n/an/an/an/a<1n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209201
PNG
(US9266877, 147)
Show SMILES COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C39H44N6O4S/c1-26-30(23-40-45(26)25-39(20-10-22-49-2)18-7-3-4-8-19-39)28-15-16-34(42-35(28)37(47)48)44-21-17-27-11-9-12-29(31(27)24-44)36(46)43-38-41-32-13-5-6-14-33(32)50-38/h5-6,9,11-16,23H,3-4,7-8,10,17-22,24-25H2,1-2H3,(H,47,48)(H,41,43,46)
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ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209238
PNG
(US9266877, 184)
Show SMILES COCCC(C1CCCCC1)n1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C37H40N6O4S/c1-23-28(21-38-43(23)31(18-20-47-2)25-9-4-3-5-10-25)26-15-16-33(40-34(26)36(45)46)42-19-17-24-11-8-12-27(29(24)22-42)35(44)41-37-39-30-13-6-7-14-32(30)48-37/h6-8,11-16,21,25,31H,3-5,9-10,17-20,22H2,1-2H3,(H,45,46)(H,39,41,44)
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n/an/an/an/a 2n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209097
PNG
(US9266877, 43)
Show SMILES Cc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H34N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h5-7,10-15,18,22H,2-4,8-9,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41)
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n/an/an/an/a 4n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209140
PNG
(US9266877, 86)
Show SMILES Cc1c(cnn1CC1CCC2C[C@@H](C1)C2(C)C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C38H40N6O3S/c1-22-29(19-39-44(22)20-23-11-12-25-18-26(17-23)38(25,2)3)27-13-14-33(41-34(27)36(46)47)43-16-15-24-7-6-8-28(30(24)21-43)35(45)42-37-40-31-9-4-5-10-32(31)48-37/h4-10,13-14,19,23,25-26H,11-12,15-18,20-21H2,1-3H3,(H,46,47)(H,40,42,45)/t23?,25?,26-/s2
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ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209216
PNG
(US9266877, 162)
Show SMILES COC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Show InChI InChI=1/C38H43N7O5S2/c1-24-28(20-39-45(24)23-38(50-4)18-9-17-37(2,3)22-38)26-14-15-32(41-33(26)35(47)43-52(5,48)49)44-19-16-25-10-8-11-27(29(25)21-44)34(46)42-36-40-30-12-6-7-13-31(30)51-36/h6-8,10-15,20H,9,16-19,21-23H2,1-5H3,(H,43,47)(H,40,42,46)
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n/an/an/an/a 5n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209233
PNG
(US9266877, 179)
Show SMILES CN(C(=O)C1(C)CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H39N5O4S/c1-24-26(12-10-15-31(24)43(3)37(48)39(2)20-7-4-8-21-39)27-17-18-33(41-34(27)36(46)47)44-22-19-25-11-9-13-28(29(25)23-44)35(45)42-38-40-30-14-5-6-16-32(30)49-38/h5-6,9-18H,4,7-8,19-23H2,1-3H3,(H,46,47)(H,40,42,45)
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n/an/an/an/a 6n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209236
PNG
(US9266877, 182)
Show SMILES OC(=O)c1nc(ccc1-c1cccc(N2CCCC2C23CC4CC(CC(C4)C2)C3)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C44H42N6O3S/c45-24-33-30(7-4-10-36(33)50-16-5-12-38(50)44-21-26-18-27(22-44)20-28(19-26)23-44)31-13-14-39(47-40(31)42(52)53)49-17-15-29-6-3-8-32(34(29)25-49)41(51)48-43-46-35-9-1-2-11-37(35)54-43/h1-4,6-11,13-14,26-28,38H,5,12,15-23,25H2,(H,52,53)(H,46,48,51)
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ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209215
PNG
(US9266877, 161)
Show SMILES CN(Cc1nccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)C1CCCCC1
Show InChI InChI=1S/C37H38N6O3S/c1-23-26(17-19-38-31(23)22-42(2)25-10-4-3-5-11-25)27-15-16-33(40-34(27)36(45)46)43-20-18-24-9-8-12-28(29(24)21-43)35(44)41-37-39-30-13-6-7-14-32(30)47-37/h6-9,12-17,19,25H,3-5,10-11,18,20-22H2,1-2H3,(H,45,46)(H,39,41,44)
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n/an/an/an/a 7n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209209
PNG
(US9266877, 155)
Show SMILES Cc1c(cnn1CC1(CCCCCC1)OCCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C42H49N7O5S/c1-29-33(26-43-49(29)28-42(17-6-2-3-7-18-42)54-23-9-19-47-21-24-53-25-22-47)31-14-15-37(45-38(31)40(51)52)48-20-16-30-10-8-11-32(34(30)27-48)39(50)46-41-44-35-12-4-5-13-36(35)55-41/h4-5,8,10-15,26H,2-3,6-7,9,16-25,27-28H2,1H3,(H,51,52)(H,44,46,50)
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n/an/an/an/a 7n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209127
PNG
(US9266877, 73)
Show SMILES Cc1c(cnn1CC1CCC(F)(F)CC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H32F2N6O3S/c1-20-25(17-37-42(20)18-21-11-14-34(35,36)15-12-21)23-9-10-29(39-30(23)32(44)45)41-16-13-22-5-4-6-24(26(22)19-41)31(43)40-33-38-27-7-2-3-8-28(27)46-33/h2-10,17,21H,11-16,18-19H2,1H3,(H,44,45)(H,38,40,43)
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n/an/an/an/a 8n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209136
PNG
(US9266877, 82)
Show SMILES Cc1c(cnn1CC1(C)CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H36N6O3S/c1-22-26(19-36-41(22)21-35(2)16-6-3-7-17-35)24-13-14-30(38-31(24)33(43)44)40-18-15-23-9-8-10-25(27(23)20-40)32(42)39-34-37-28-11-4-5-12-29(28)45-34/h4-5,8-14,19H,3,6-7,15-18,20-21H2,1-2H3,(H,43,44)(H,37,39,42)
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n/an/an/an/a 8n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209219
PNG
(US9266877, 165)
Show SMILES COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C35H36N6O4S/c1-22-26(19-36-41(22)21-35(45-2)16-6-3-7-17-35)24-13-14-30(38-31(24)33(43)44)40-18-15-23-9-8-10-25(27(23)20-40)32(42)39-34-37-28-11-4-5-12-29(28)46-34/h4-5,8-14,19H,3,6-7,15-18,20-21H2,1-2H3,(H,43,44)(H,37,39,42)
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n/an/an/an/a 9n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209185
PNG
(US9266877, 131)
Show SMILES CC1CCC(CC1(Cn1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCCCC1)C#N
Show InChI InChI=1/C41H43N7O3S/c1-27-12-13-28(23-42)22-41(27,48-18-5-2-6-19-48)26-46-20-16-30(24-46)31-14-15-36(44-37(31)39(50)51)47-21-17-29-8-7-9-32(33(29)25-47)38(49)45-40-43-34-10-3-4-11-35(34)52-40/h3-4,7-11,14-16,20,24,27-28H,2,5-6,12-13,17-19,21-22,25-26H2,1H3,(H,50,51)(H,43,45,49)
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n/an/an/an/a 9n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209230
PNG
(US9266877, 176)
Show SMILES CN(C)C1(Cn2c(C)c(cc2C#N)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C38H39N7O3S/c1-24-29(20-26(21-39)45(24)23-38(43(2)3)17-7-4-8-18-38)27-14-15-33(41-34(27)36(47)48)44-19-16-25-10-9-11-28(30(25)22-44)35(46)42-37-40-31-12-5-6-13-32(31)49-37/h5-6,9-15,20H,4,7-8,16-19,22-23H2,1-3H3,(H,47,48)(H,40,42,46)
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n/an/an/an/a 10n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209223
PNG
(US9266877, 169)
Show SMILES Cc1c(cnn1CC1(CCCCC1)OCCO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H38N6O5S/c1-23-27(20-37-42(23)22-36(47-19-18-43)15-5-2-6-16-36)25-12-13-31(39-32(25)34(45)46)41-17-14-24-8-7-9-26(28(24)21-41)33(44)40-35-38-29-10-3-4-11-30(29)48-35/h3-4,7-13,20,43H,2,5-6,14-19,21-22H2,1H3,(H,45,46)(H,38,40,44)
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ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50030758
PNG
(CHEMBL3342195)
Show SMILES CN(C)CCCNc1ncnc2n(ncc12)-c1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
Show InChI InChI=1S/C40H40N10O4S2/c1-48(2)19-7-18-41-35-29-22-44-50(36(29)43-24-42-35)26-13-15-27(16-14-26)54-21-6-12-33-34(38(52)53)46-40(56-33)49-20-17-25-8-5-9-28(30(25)23-49)37(51)47-39-45-31-10-3-4-11-32(31)55-39/h3-5,8-11,13-16,22,24H,6-7,12,17-21,23H2,1-2H3,(H,52,53)(H,41,42,43)(H,45,47,51)
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n/an/an/an/a 10n/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) expressed in mcl-1 deficient MEF assessed as induction of cell killing incubated for 48 hrs in presence of 10% ...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM209161
PNG
(US9266877, 107)
Show SMILES Cc1c(CC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H36N4O3S/c1-23-26(21-24-9-3-2-4-10-24)12-8-13-27(23)28-17-18-33(39-34(28)36(43)44)41-20-19-25-11-7-14-29(30(25)22-41)35(42)40-37-38-31-15-5-6-16-32(31)45-37/h5-8,11-18,24H,2-4,9-10,19-22H2,1H3,(H,43,44)(H,38,40,42)
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n/an/an/an/a 10n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209095
PNG
(US9266877, 41)
Show SMILES Cc1c(cnn1Cc1ccccc1F)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H27FN6O3S/c1-20-25(17-36-41(20)18-22-7-2-3-10-27(22)35)23-13-14-30(38-31(23)33(43)44)40-16-15-21-8-6-9-24(26(21)19-40)32(42)39-34-37-28-11-4-5-12-29(28)45-34/h2-14,17H,15-16,18-19H2,1H3,(H,43,44)(H,37,39,42)
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n/an/an/an/a 11n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209200
PNG
(US9266877, 146)
Show SMILES COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Show InChI InChI=1/C39H44N6O4S/c1-25-29(21-40-45(25)24-39(18-20-49-4)17-8-16-38(2,3)23-39)27-13-14-33(42-34(27)36(47)48)44-19-15-26-9-7-10-28(30(26)22-44)35(46)43-37-41-31-11-5-6-12-32(31)50-37/h5-7,9-14,21H,8,15-20,22-24H2,1-4H3,(H,47,48)(H,41,43,46)
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n/an/an/an/a 11n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209103
PNG
(US9266877, 49)
Show SMILES CN(C)CCOc1ccccc1Cn1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H37N7O4S/c1-24-29(21-39-45(24)22-26-9-4-6-13-32(26)49-20-19-43(2)3)27-15-16-34(41-35(27)37(47)48)44-18-17-25-10-8-11-28(30(25)23-44)36(46)42-38-40-31-12-5-7-14-33(31)50-38/h4-16,21H,17-20,22-23H2,1-3H3,(H,47,48)(H,40,42,46)
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n/an/an/an/a 12n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209139
PNG
(US9266877, 85)
Show SMILES Cc1c(cnn1CC1CCC2CC(C1)C2(C)C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C38H40N6O3S/c1-22-29(19-39-44(22)20-23-11-12-25-18-26(17-23)38(25,2)3)27-13-14-33(41-34(27)36(46)47)43-16-15-24-7-6-8-28(30(24)21-43)35(45)42-37-40-31-9-4-5-10-32(31)48-37/h4-10,13-14,19,23,25-26H,11-12,15-18,20-21H2,1-3H3,(H,46,47)(H,40,42,45)
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n/an/an/an/a 12n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209138
PNG
(US9266877, 84)
Show SMILES CCc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H36N6O3S/c1-2-29-26(19-36-41(29)20-22-9-4-3-5-10-22)24-15-16-31(38-32(24)34(43)44)40-18-17-23-11-8-12-25(27(23)21-40)33(42)39-35-37-28-13-6-7-14-30(28)45-35/h6-8,11-16,19,22H,2-5,9-10,17-18,20-21H2,1H3,(H,43,44)(H,37,39,42)
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n/an/an/an/a 12n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209074
PNG
(US9266877, 20)
Show SMILES Cc1c(cnn1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H28N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h2-15,18H,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41)
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n/an/an/an/a 13n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209202
PNG
(US9266877, 148)
Show SMILES COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C39H45N7O5S2/c1-26-30(23-40-46(26)25-39(20-22-51-2)18-8-4-5-9-19-39)28-15-16-34(42-35(28)37(48)44-53(3,49)50)45-21-17-27-11-10-12-29(31(27)24-45)36(47)43-38-41-32-13-6-7-14-33(32)52-38/h6-7,10-16,23H,4-5,8-9,17-22,24-25H2,1-3H3,(H,44,48)(H,41,43,47)
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n/an/an/an/a 13n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209214
PNG
(US9266877, 160)
Show SMILES Cc1c(cnn1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H41N7O4S/c1-25-29(22-39-45(25)24-38(15-5-2-6-16-38)44-18-20-49-21-19-44)27-12-13-33(41-34(27)36(47)48)43-17-14-26-8-7-9-28(30(26)23-43)35(46)42-37-40-31-10-3-4-11-32(31)50-37/h3-4,7-13,22H,2,5-6,14-21,23-24H2,1H3,(H,47,48)(H,40,42,46)
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n/an/an/an/a 14n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209222
PNG
(US9266877, 168)
Show SMILES Cc1c(cc(C#N)n1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H41N7O4S/c1-26-31(22-28(23-41)47(26)25-40(15-5-2-6-16-40)46-18-20-51-21-19-46)29-12-13-35(43-36(29)38(49)50)45-17-14-27-8-7-9-30(32(27)24-45)37(48)44-39-42-33-10-3-4-11-34(33)52-39/h3-4,7-13,22H,2,5-6,14-21,24-25H2,1H3,(H,49,50)(H,42,44,48)
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n/an/an/an/a 14n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209208
PNG
(US9266877, 154)
Show SMILES Cc1c(cnn1CC1CCCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1/C33H32N6O4S/c1-20-25(17-34-39(20)18-22-8-4-5-16-43-22)23-12-13-29(36-30(23)32(41)42)38-15-14-21-7-6-9-24(26(21)19-38)31(40)37-33-35-27-10-2-3-11-28(27)44-33/h2-3,6-7,9-13,17,22H,4-5,8,14-16,18-19H2,1H3,(H,41,42)(H,35,37,40)
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n/an/an/an/a 15n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209210
PNG
(US9266877, 156)
Show SMILES CN(c1ccccc1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H31N5O3S/c1-23-26(13-9-16-31(23)41(2)25-11-4-3-5-12-25)27-18-19-33(39-34(27)36(44)45)42-21-20-24-10-8-14-28(29(24)22-42)35(43)40-37-38-30-15-6-7-17-32(30)46-37/h3-19H,20-22H2,1-2H3,(H,44,45)(H,38,40,43)
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n/an/an/an/a 15n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209177
PNG
(US9266877, 123)
Show SMILES CCOC(=O)c1cc(c(C)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H33N5O5S/c1-3-48-37(47)31-20-28(23(2)43(31)21-24-10-5-4-6-11-24)26-16-17-33(40-34(26)36(45)46)42-19-18-25-12-9-13-27(29(25)22-42)35(44)41-38-39-30-14-7-8-15-32(30)49-38/h4-17,20H,3,18-19,21-22H2,1-2H3,(H,45,46)(H,39,41,44)
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n/an/an/an/a 16n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM21441
PNG
(N-Benylpiperazine derivative, 23i | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C42H46N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h3-22,29,35,43H,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
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n/an/an/an/a 18.0n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Citation and Details
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM21441
PNG
(N-Benylpiperazine derivative, 23i | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C42H46N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h3-22,29,35,43H,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
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<0.5<-53.1<60n/a 18n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM209183
PNG
(US9266877, 129)
Show SMILES Cc1c(cc(C#N)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H28N6O3S/c1-22-28(18-25(19-37)42(22)20-23-8-3-2-4-9-23)26-14-15-32(39-33(26)35(44)45)41-17-16-24-10-7-11-27(29(24)21-41)34(43)40-36-38-30-12-5-6-13-31(30)46-36/h2-15,18H,16-17,20-21H2,1H3,(H,44,45)(H,38,40,43)
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n/an/an/an/a 18n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209197
PNG
(US9266877, 143)
Show SMILES CN(c1ccccc1)c1nccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H30N6O3S/c1-22-25(17-19-37-33(22)41(2)24-10-4-3-5-11-24)26-15-16-31(39-32(26)35(44)45)42-20-18-23-9-8-12-27(28(23)21-42)34(43)40-36-38-29-13-6-7-14-30(29)46-36/h3-17,19H,18,20-21H2,1-2H3,(H,44,45)(H,38,40,43)
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n/an/an/an/a 19n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209133
PNG
(US9266877, 79)
Show SMILES Cc1c(cnn1Cc1ccccc1OCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H39N7O5S/c1-26-31(23-41-47(26)24-28-7-2-4-11-34(28)52-22-19-45-17-20-51-21-18-45)29-13-14-36(43-37(29)39(49)50)46-16-15-27-8-6-9-30(32(27)25-46)38(48)44-40-42-33-10-3-5-12-35(33)53-40/h2-14,23H,15-22,24-25H2,1H3,(H,49,50)(H,42,44,48)
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n/an/an/an/a 19n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM50030757
PNG
(CHEMBL3342196)
Show SMILES CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1
Show InChI InChI=1S/C43H45N11O4S2/c1-51-20-22-52(23-21-51)18-6-17-44-38-32-25-47-54(39(32)46-27-45-38)29-12-14-30(15-13-29)58-24-5-11-36-37(41(56)57)49-43(60-36)53-19-16-28-7-4-8-31(33(28)26-53)40(55)50-42-48-34-9-2-3-10-35(34)59-42/h2-4,7-10,12-15,25,27H,5-6,11,16-24,26H2,1H3,(H,56,57)(H,44,45,46)(H,48,50,55)
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n/an/an/an/a 20n/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) expressed in mcl-1 deficient MEF assessed as induction of cell killing incubated for 48 hrs in presence of 10% ...


Citation and Details
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM21448
PNG
(N-Benylpiperazine derivative, 23p | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C48H50N6O5S2/c1-51(2)28-27-41(35-60-43-14-7-4-8-15-43)49-46-26-25-44(33-47(46)54(56)57)61(58,59)50-48(55)39-21-23-42(24-22-39)53-31-29-52(30-32-53)34-40-13-9-10-16-45(40)38-19-17-37(18-20-38)36-11-5-3-6-12-36/h3-26,33,41,49H,27-32,34-35H2,1-2H3,(H,50,55)/t41-/m1/s1
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n/an/an/an/a 22.0n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Citation and Details
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM21448
PNG
(N-Benylpiperazine derivative, 23p | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C48H50N6O5S2/c1-51(2)28-27-41(35-60-43-14-7-4-8-15-43)49-46-26-25-44(33-47(46)54(56)57)61(58,59)50-48(55)39-21-23-42(24-22-39)53-31-29-52(30-32-53)34-40-13-9-10-16-45(40)38-19-17-37(18-20-38)36-11-5-3-6-12-36/h3-26,33,41,49H,27-32,34-35H2,1-2H3,(H,50,55)/t41-/m1/s1
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1 -51.4 100n/a 22n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM209143
PNG
(US9266877, 89)
Show SMILES COCCOc1ccccc1Cn1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H34N6O5S/c1-23-28(20-38-43(23)21-25-8-3-5-12-31(25)48-19-18-47-2)26-14-15-33(40-34(26)36(45)46)42-17-16-24-9-7-10-27(29(24)22-42)35(44)41-37-39-30-11-4-6-13-32(30)49-37/h3-15,20H,16-19,21-22H2,1-2H3,(H,45,46)(H,39,41,44)
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n/an/an/an/a 23n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

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


(Mus musculus (Mouse))
BDBM209231
PNG
(US9266877, 177)
Show SMILES CN(C(=O)C1CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H37N5O4S/c1-23-26(13-9-16-31(23)42(2)36(45)25-10-4-3-5-11-25)27-18-19-33(40-34(27)37(46)47)43-21-20-24-12-8-14-28(29(24)22-43)35(44)41-38-39-30-15-6-7-17-32(30)48-38/h6-9,12-19,25H,3-5,10-11,20-22H2,1-2H3,(H,46,47)(H,39,41,44)
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n/an/an/an/a 24n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
The efficacy of the compounds of Formula (I) can also be determined in cell-based killing assays using a variety of cell lines and mouse tumor models...


US Patent US9266877 (2016)

More data for this
Ligand-Target Pair
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