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Patent code US9346795

Compile Data Set for Download or QSAR
Found 186 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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-2


(Homo sapiens (human))
BDBM232435
PNG
(US9346795, 208)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1cc(Br)c2n(CC)ccc2c1
Show InChI InChI=1S/C41H46BrClN6O6S/c1-5-8-17-47(18-9-6-2)41(53)37-36(43)26(4)49(44-37)35-15-14-29(22-33(35)40(52)48-24-30-13-11-10-12-27(30)20-31(48)25-50)39(51)45-56(54,55)32-21-28-16-19-46(7-3)38(28)34(42)23-32/h10-16,19,21-23,31,50H,5-9,17-18,20,24-25H2,1-4H3,(H,45,51)/t31-/m0/s1
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n/an/a 3.59n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232396
PNG
(US9346795, 43)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
Show InChI InChI=1S/C40H40BrCl2N5O5S/c1-4-6-19-46(20-7-5-2)40(51)37-36(43)25(3)48(44-37)35-17-12-27(22-32(35)39(50)47-21-18-26-10-8-9-11-28(26)24-47)38(49)45-54(52,53)29-13-14-30-31(23-29)33(41)15-16-34(30)42/h8-17,22-23H,4-7,18-21,24H2,1-3H3,(H,45,49)
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n/an/a 3.93n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232408
PNG
(US9346795, 85)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1cc(Br)c2n(CC)cc(Br)c2c1
Show InChI InChI=1S/C40H43Br2ClN6O5S/c1-5-8-17-47(18-9-6-2)40(52)36-35(43)25(4)49(44-36)34-15-14-27(20-31(34)39(51)48-19-16-26-12-10-11-13-28(26)23-48)38(50)45-55(53,54)29-21-30-33(42)24-46(7-3)37(30)32(41)22-29/h10-15,20-22,24H,5-9,16-19,23H2,1-4H3,(H,45,50)
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n/an/a 4.19n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232444
PNG
(US9346795, 258)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(OCC(O)CO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C44H44N4O8S/c1-2-3-12-41-42(40(27-50)45-48(41)34-15-17-36(18-16-34)56-28-35(51)26-49)38-20-14-32(24-39(38)44(53)47-22-21-30-9-5-7-11-33(30)25-47)43(52)46-57(54,55)37-19-13-29-8-4-6-10-31(29)23-37/h4-11,13-20,23-24,35,49-51H,2-3,12,21-22,25-28H2,1H3,(H,46,52)
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n/an/a 4.96n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384339
PNG
(CHEMBL2031008 | US9346795, 329)
Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C38H38Cl2N6O4S/c1-3-16-45(17-4-2)38-42-22-34(40)35(43-38)30-15-13-26(19-32(30)37(48)46-23-27-9-6-5-8-25(27)18-28(46)21-41)36(47)44-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-20,22,28H,3-4,16-18,21,23,41H2,1-2H3,(H,44,47)/t28-/m0/s1
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n/an/a 5.09n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384321
PNG
(CHEMBL2030856 | US9346795, 245)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(CCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C43H42N4O6S/c1-2-3-12-40-41(39(28-49)44-47(40)35-17-13-29(14-18-35)22-24-48)37-20-16-33(26-38(37)43(51)46-23-21-31-9-5-7-11-34(31)27-46)42(50)45-54(52,53)36-19-15-30-8-4-6-10-32(30)25-36/h4-11,13-20,25-26,48-49H,2-3,12,21-24,27-28H2,1H3,(H,45,50)
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n/an/a 6.14n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM50384355
PNG
(CHEMBL2031024 | US9346795, 91)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H44ClN5O6S/c1-4-6-20-45(21-7-5-2)41(51)38-37(42)27(3)47(43-38)36-19-17-31(39(49)44-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)46-25-32-15-11-10-13-29(32)22-33(46)26-48/h8-19,23-24,33,48H,4-7,20-22,25-26H2,1-3H3,(H,44,49)/t33-/m0/s1
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n/an/a 6.27n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384329
PNG
(CHEMBL2030864 | US9346795, 252)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C47H40Cl2N4O6S/c1-2-3-14-44-45(43(29-54)50-53(44)35-17-19-36(20-18-35)59-37-12-7-11-34(48)26-37)39-22-16-32(25-41(39)47(56)52-24-23-30-8-4-5-9-33(30)28-52)46(55)51-60(57,58)38-21-15-31-10-6-13-42(49)40(31)27-38/h4-13,15-22,25-27,54H,2-3,14,23-24,28-29H2,1H3,(H,51,55)
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n/an/a 6.37n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232450
PNG
(US9346795, 282)
Show SMILES CCCCN(CCCC)C(=O)c1cn(C)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
Show InChI InChI=1S/C41H45IN6O5S/c1-4-6-19-47(20-7-5-2)41(51)37-26-46(3)38(44-37)33-18-16-29(22-35(33)40(50)48-25-30-12-9-8-11-28(30)21-31(48)24-43)39(49)45-54(52,53)32-17-15-27-13-10-14-36(42)34(27)23-32/h8-18,22-23,26,31H,4-7,19-21,24-25,43H2,1-3H3,(H,45,49)/t31-/m0/s1
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n/an/a 6.97n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232412
PNG
(US9346795, 106)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CNC1CCN(C)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H56ClN7O5S/c1-5-7-23-53(24-8-6-2)47(58)44-43(48)32(3)55(50-44)42-20-18-36(45(56)51-61(59,60)40-19-17-33-13-9-10-15-35(33)28-40)29-41(42)46(57)54-31-37-16-12-11-14-34(37)27-39(54)30-49-38-21-25-52(4)26-22-38/h9-20,28-29,38-39,49H,5-8,21-27,30-31H2,1-4H3,(H,51,56)/t39-/m0/s1
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n/an/a 7.06n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232397
PNG
(US9346795, 44)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1
Show InChI InChI=1S/C40H40Cl3N5O5S/c1-4-6-19-46(20-7-5-2)40(51)37-36(43)25(3)48(44-37)35-17-12-27(22-32(35)39(50)47-21-18-26-10-8-9-11-28(26)24-47)38(49)45-54(52,53)29-13-14-30-31(23-29)34(42)16-15-33(30)41/h8-17,22-23H,4-7,18-21,24H2,1-3H3,(H,45,49)
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n/an/a 7.25n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232407
PNG
(US9346795, 84)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CC)cc(I)c2c1
Show InChI InChI=1S/C40H44ClIN6O5S/c1-5-8-19-46(20-9-6-2)40(51)37-36(41)26(4)48(43-37)35-16-14-28(22-32(35)39(50)47-21-18-27-12-10-11-13-29(27)24-47)38(49)44-54(52,53)30-15-17-34-31(23-30)33(42)25-45(34)7-3/h10-17,22-23,25H,5-9,18-21,24H2,1-4H3,(H,44,49)
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n/an/a 7.69n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384318
PNG
(CHEMBL2030853 | US9346795, 243)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-15-44-45(43(30-53)49-52(44)37-18-20-38(21-19-37)58-39-14-8-13-36(48)28-39)41-23-17-34(27-42(41)47(55)51-25-24-32-10-5-7-12-35(32)29-51)46(54)50-59(56,57)40-22-16-31-9-4-6-11-33(31)26-40/h4-14,16-23,26-28,53H,2-3,15,24-25,29-30H2,1H3,(H,50,54)
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n/an/a 7.83n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232434
PNG
(US9346795, 207)
Show SMILES CCCN(CCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
Show InChI InChI=1S/C38H38BrCl2N5O5S/c1-4-16-44(17-5-2)36-35(41)23(3)46(42-36)34-15-10-25(19-31(34)38(49)45-21-26-9-7-6-8-24(26)18-27(45)22-47)37(48)43-52(50,51)28-11-12-29-30(20-28)32(39)13-14-33(29)40/h6-15,19-20,27,47H,4-5,16-18,21-22H2,1-3H3,(H,43,48)/t27-/m0/s1
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n/an/a 7.84n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232435
PNG
(US9346795, 208)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1cc(Br)c2n(CC)ccc2c1
Show InChI InChI=1S/C41H46BrClN6O6S/c1-5-8-17-47(18-9-6-2)41(53)37-36(43)26(4)49(44-37)35-15-14-29(22-33(35)40(52)48-24-30-13-11-10-12-27(30)20-31(48)25-50)39(51)45-56(54,55)32-21-28-16-19-46(7-3)38(28)34(42)23-32/h10-16,19,21-23,31,50H,5-9,17-18,20,24-25H2,1-4H3,(H,45,51)/t31-/m0/s1
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n/an/a 7.88n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM50384324
PNG
(CHEMBL2030859 | US9346795, 260)
Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C42H40N4O6S/c1-2-3-17-39-40(38(27-48)43-46(39)33-15-5-4-6-16-33)36-21-19-31(41(49)44-53(51,52)35-20-18-28-11-7-8-13-30(28)23-35)24-37(36)42(50)45-25-32-14-10-9-12-29(32)22-34(45)26-47/h4-16,18-21,23-24,34,47-48H,2-3,17,22,25-27H2,1H3,(H,44,49)/t34-/m0/s1
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n/an/a 8.01n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232444
PNG
(US9346795, 258)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(OCC(O)CO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C44H44N4O8S/c1-2-3-12-41-42(40(27-50)45-48(41)34-15-17-36(18-16-34)56-28-35(51)26-49)38-20-14-32(24-39(38)44(53)47-22-21-30-9-5-7-11-33(30)25-47)43(52)46-57(54,55)37-19-13-29-8-4-6-10-31(29)23-37/h4-11,13-20,23-24,35,49-51H,2-3,12,21-22,25-28H2,1H3,(H,46,52)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384358
PNG
(CHEMBL2031027 | US9346795, 92)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H45ClN6O5S/c1-4-6-20-46(21-7-5-2)41(51)38-37(42)27(3)48(44-38)36-19-17-31(39(49)45-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)47-26-32-15-11-10-13-29(32)22-33(47)25-43/h8-19,23-24,33H,4-7,20-22,25-26,43H2,1-3H3,(H,45,49)/t33-/m0/s1
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n/an/a 8.41n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232424
PNG
(US9346795, 181)
Show SMILES CCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C44H39Cl4N5O6S/c1-3-4-18-51(23-27-12-16-37(46)38(47)19-27)44(57)41-40(48)26(2)53(49-41)39-17-14-30(21-35(39)43(56)52-24-31-9-6-5-8-29(31)20-32(52)25-54)42(55)50-60(58,59)33-15-13-28-10-7-11-36(45)34(28)22-33/h5-17,19,21-22,32,54H,3-4,18,20,23-25H2,1-2H3,(H,50,55)/t32-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384340
PNG
(CHEMBL2031009 | US9346795, 328)
Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C38H37Cl2N5O5S/c1-3-16-44(17-4-2)38-41-21-34(40)35(42-38)30-15-13-26(19-32(30)37(48)45-22-27-9-6-5-8-25(27)18-28(45)23-46)36(47)43-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-21,28,46H,3-4,16-18,22-23H2,1-2H3,(H,43,47)/t28-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232430
PNG
(US9346795, 198)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)ccc2c1
Show InChI InChI=1S/C46H47Cl3N6O6S/c1-4-6-19-52(20-7-5-2)46(59)43-42(49)29(3)55(50-43)41-16-13-33(25-37(41)45(58)54-27-34-11-9-8-10-31(34)23-35(54)28-56)44(57)51-62(60,61)36-14-17-40-32(24-36)18-21-53(40)26-30-12-15-38(47)39(48)22-30/h8-18,21-22,24-25,35,56H,4-7,19-20,23,26-28H2,1-3H3,(H,51,57)/t35-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232433
PNG
(US9346795, 205)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1cc2CCN(CC)c2c(Br)c1
Show InChI InChI=1S/C41H48BrClN6O6S/c1-5-8-17-47(18-9-6-2)41(53)37-36(43)26(4)49(44-37)35-15-14-29(22-33(35)40(52)48-24-30-13-11-10-12-27(30)20-31(48)25-50)39(51)45-56(54,55)32-21-28-16-19-46(7-3)38(28)34(42)23-32/h10-15,21-23,31,50H,5-9,16-20,24-25H2,1-4H3,(H,45,51)/t31-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM50384357
PNG
(CHEMBL2031026 | US9346795, 116)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCN(C)C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C45H53ClN6O6S/c1-6-8-22-50(23-9-7-2)45(55)42-41(46)31(3)52(47-42)40-21-19-35(43(53)48-59(56,57)38-20-18-32-14-10-11-16-34(32)27-38)28-39(40)44(54)51-29-36-17-13-12-15-33(36)26-37(51)30-58-25-24-49(4)5/h10-21,27-28,37H,6-9,22-26,29-30H2,1-5H3,(H,48,53)/t37-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232433
PNG
(US9346795, 205)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1cc2CCN(CC)c2c(Br)c1
Show InChI InChI=1S/C41H48BrClN6O6S/c1-5-8-17-47(18-9-6-2)41(53)37-36(43)26(4)49(44-37)35-15-14-29(22-33(35)40(52)48-24-30-13-11-10-12-27(30)20-31(48)25-50)39(51)45-56(54,55)32-21-28-16-19-46(7-3)38(28)34(42)23-32/h10-15,21-23,31,50H,5-9,16-20,24-25H2,1-4H3,(H,45,51)/t31-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232436
PNG
(US9346795, 213)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccc(CC(O)=O)cc1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C56H51Cl3N6O7S/c1-3-4-25-63(32-37-11-16-41(17-12-37)40-14-9-36(10-15-40)29-51(66)67)56(70)53-52(59)35(2)65(60-53)50-21-18-43(31-46(50)55(69)64-27-23-39-7-5-6-8-44(39)34-64)54(68)61-73(71,72)45-19-22-49-42(30-45)24-26-62(49)33-38-13-20-47(57)48(58)28-38/h5-22,28,30-31H,3-4,23-27,29,32-34H2,1-2H3,(H,61,68)(H,66,67)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232392
PNG
(US9346795, 37)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OC(C)CN(C)C)cc2c1
Show InChI InChI=1S/C45H53ClN6O6S/c1-7-9-22-50(23-10-8-2)45(55)42-41(46)31(4)52(47-42)40-20-17-34(27-39(40)44(54)51-24-21-32-13-11-12-14-35(32)29-51)43(53)48-59(56,57)38-19-16-33-15-18-37(25-36(33)26-38)58-30(3)28-49(5)6/h11-20,25-27,30H,7-10,21-24,28-29H2,1-6H3,(H,48,53)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232425
PNG
(US9346795, 189)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C46H49Cl3N6O6S/c1-4-6-19-52(20-7-5-2)46(59)43-42(49)29(3)55(50-43)41-16-13-33(25-37(41)45(58)54-27-34-11-9-8-10-31(34)23-35(54)28-56)44(57)51-62(60,61)36-14-17-40-32(24-36)18-21-53(40)26-30-12-15-38(47)39(48)22-30/h8-17,22,24-25,35,56H,4-7,18-21,23,26-28H2,1-3H3,(H,51,57)/t35-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232454
PNG
(US9346795, 322)
Show SMILES CCCCN(Cc1ccc(Cl)c(Cl)c1)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C42H35Cl4N5O4S/c1-2-3-18-51(24-26-11-16-36(44)37(45)20-26)42-47-23-38(46)39(48-42)32-15-13-29(21-34(32)41(53)50-19-17-27-7-4-5-8-30(27)25-50)40(52)49-56(54,55)31-14-12-28-9-6-10-35(43)33(28)22-31/h4-16,20-23H,2-3,17-19,24-25H2,1H3,(H,49,52)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384352
PNG
(CHEMBL2031021 | US9346795, 53)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CC)CCc2c1
Show InChI InChI=1S/C40H47ClN6O5S/c1-5-8-20-45(21-9-6-2)40(50)37-36(41)27(4)47(42-37)35-16-14-30(25-33(35)39(49)46-23-18-28-12-10-11-13-31(28)26-46)38(48)43-53(51,52)32-15-17-34-29(24-32)19-22-44(34)7-3/h10-17,24-25H,5-9,18-23,26H2,1-4H3,(H,43,48)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232432
PNG
(US9346795, 203)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C41H44Cl2N6O5S/c1-4-6-19-47(20-7-5-2)41(52)38-37(43)26(3)49(45-38)36-18-16-29(22-34(36)40(51)48-25-30-12-9-8-11-28(30)21-31(48)24-44)39(50)46-55(53,54)32-17-15-27-13-10-14-35(42)33(27)23-32/h8-18,22-23,31H,4-7,19-21,24-25,44H2,1-3H3,(H,46,50)/t31-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232450
PNG
(US9346795, 282)
Show SMILES CCCCN(CCCC)C(=O)c1cn(C)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
Show InChI InChI=1S/C41H45IN6O5S/c1-4-6-19-47(20-7-5-2)41(51)37-26-46(3)38(44-37)33-18-16-29(22-35(33)40(50)48-25-30-12-9-8-11-28(30)21-31(48)24-43)39(49)45-54(52,53)32-17-15-27-13-10-14-36(42)34(27)23-32/h8-18,22-23,26,31H,4-7,19-21,24-25,43H2,1-3H3,(H,45,49)/t31-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232386
PNG
(US9346795, 18)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCc3ccccc3)cc2c1
Show InChI InChI=1S/C47H48ClN5O6S/c1-4-6-24-51(25-7-5-2)47(56)44-43(48)32(3)53(49-44)42-22-19-36(29-41(42)46(55)52-26-23-34-15-11-12-16-37(34)30-52)45(54)50-60(57,58)40-21-18-35-17-20-39(27-38(35)28-40)59-31-33-13-9-8-10-14-33/h8-22,27-29H,4-7,23-26,30-31H2,1-3H3,(H,50,54)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384357
PNG
(CHEMBL2031026 | US9346795, 116)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCN(C)C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C45H53ClN6O6S/c1-6-8-22-50(23-9-7-2)45(55)42-41(46)31(3)52(47-42)40-21-19-35(43(53)48-59(56,57)38-20-18-32-14-10-11-16-34(32)27-38)28-39(40)44(54)51-29-36-17-13-12-15-33(36)26-37(51)30-58-25-24-49(4)5/h10-21,27-28,37H,6-9,22-26,29-30H2,1-5H3,(H,48,53)/t37-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384340
PNG
(CHEMBL2031009 | US9346795, 328)
Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C38H37Cl2N5O5S/c1-3-16-44(17-4-2)38-41-21-34(40)35(42-38)30-15-13-26(19-32(30)37(48)45-22-27-9-6-5-8-25(27)18-28(45)23-46)36(47)43-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-21,28,46H,3-4,16-18,22-23H2,1-2H3,(H,43,47)/t28-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232432
PNG
(US9346795, 203)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C41H44Cl2N6O5S/c1-4-6-19-47(20-7-5-2)41(52)38-37(43)26(3)49(45-38)36-18-16-29(22-34(36)40(51)48-25-30-12-9-8-11-28(30)21-31(48)24-44)39(50)46-55(53,54)32-17-15-27-13-10-14-35(42)33(27)23-32/h8-18,22-23,31H,4-7,19-21,24-25,44H2,1-3H3,(H,46,50)/t31-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232452
PNG
(US9346795, 289)
Show SMILES CCCCN(CCCC)c1ccc(Br)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C40H40BrClN4O4S/c1-3-5-21-45(22-6-4-2)37-19-18-35(41)38(43-37)32-17-15-29(24-34(32)40(48)46-23-20-27-10-7-8-11-30(27)26-46)39(47)44-51(49,50)31-16-14-28-12-9-13-36(42)33(28)25-31/h7-19,24-25H,3-6,20-23,26H2,1-2H3,(H,44,47)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232438
PNG
(US9346795, 217)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H39BrCl3N5O5S/c1-3-4-23-56(36-11-7-10-32(25-36)31-12-15-35(50)16-13-31)48(60)45-44(52)29(2)57(53-45)43-21-14-33(26-40(43)47(59)55-24-22-30-8-5-6-9-34(30)28-55)46(58)54-63(61,62)37-17-18-38-39(27-37)41(49)19-20-42(38)51/h5-21,25-27H,3-4,22-24,28H2,1-2H3,(H,54,58)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384358
PNG
(CHEMBL2031027 | US9346795, 92)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H45ClN6O5S/c1-4-6-20-46(21-7-5-2)41(51)38-37(42)27(3)48(44-38)36-19-17-31(39(49)45-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)47-26-32-15-11-10-13-29(32)22-33(47)25-43/h8-19,23-24,33H,4-7,20-22,25-26,43H2,1-3H3,(H,45,49)/t33-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232414
PNG
(US9346795, 119)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C43H48ClN5O7S/c1-4-6-20-47(21-7-5-2)43(53)40-39(44)29(3)49(45-40)38-19-17-33(41(51)46-57(54,55)36-18-16-30-12-8-9-14-32(30)25-36)26-37(38)42(52)48-27-34-15-11-10-13-31(34)24-35(48)28-56-23-22-50/h8-19,25-26,35,50H,4-7,20-24,27-28H2,1-3H3,(H,46,51)/t35-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM50384329
PNG
(CHEMBL2030864 | US9346795, 252)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C47H40Cl2N4O6S/c1-2-3-14-44-45(43(29-54)50-53(44)35-17-19-36(20-18-35)59-37-12-7-11-34(48)26-37)39-22-16-32(25-41(39)47(56)52-24-23-30-8-4-5-9-33(30)28-52)46(55)51-60(57,58)38-21-15-31-10-6-13-42(49)40(31)27-38/h4-13,15-22,25-27,54H,2-3,14,23-24,28-29H2,1H3,(H,51,55)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384324
PNG
(CHEMBL2030859 | US9346795, 260)
Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C42H40N4O6S/c1-2-3-17-39-40(38(27-48)43-46(39)33-15-5-4-6-16-33)36-21-19-31(41(49)44-53(51,52)35-20-18-28-11-7-8-13-30(28)23-35)24-37(36)42(50)45-25-32-14-10-9-12-29(32)22-34(45)26-47/h4-16,18-21,23-24,34,47-48H,2-3,17,22,25-27H2,1H3,(H,44,49)/t34-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232384
PNG
(US9346795, 8)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(C#N)c2c1
Show InChI InChI=1S/C41H41ClN6O5S/c1-4-6-20-46(21-7-5-2)41(51)38-37(42)27(3)48(44-38)36-18-16-30(23-35(36)40(50)47-22-19-28-11-8-9-12-32(28)26-47)39(49)45-54(52,53)33-17-15-29-13-10-14-31(25-43)34(29)24-33/h8-18,23-24H,4-7,19-22,26H2,1-3H3,(H,45,49)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232413
PNG
(US9346795, 115)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(CCO)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H56ClN7O6S/c1-4-6-20-53(21-7-5-2)47(59)44-43(48)33(3)55(49-44)42-19-17-37(45(57)50-62(60,61)40-18-16-34-12-8-9-14-36(34)29-40)30-41(42)46(58)54-31-38-15-11-10-13-35(38)28-39(54)32-52-24-22-51(23-25-52)26-27-56/h8-19,29-30,39,56H,4-7,20-28,31-32H2,1-3H3,(H,50,57)/t39-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384353
PNG
(CHEMBL2031022 | US9346795, 59)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C45H47Cl3N6O5S/c1-4-6-20-51(21-7-5-2)45(57)42-41(48)29(3)54(49-42)40-16-13-33(26-36(40)44(56)53-23-18-31-10-8-9-11-34(31)28-53)43(55)50-60(58,59)35-14-17-39-32(25-35)19-22-52(39)27-30-12-15-37(46)38(47)24-30/h8-17,24-26H,4-7,18-23,27-28H2,1-3H3,(H,50,55)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232406
PNG
(US9346795, 83)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CC)cc(Cl)c2c1
Show InChI InChI=1S/C40H44Cl2N6O5S/c1-5-8-19-46(20-9-6-2)40(51)37-36(42)26(4)48(43-37)35-16-14-28(22-32(35)39(50)47-21-18-27-12-10-11-13-29(27)24-47)38(49)44-54(52,53)30-15-17-34-31(23-30)33(41)25-45(34)7-3/h10-17,22-23,25H,5-9,18-21,24H2,1-4H3,(H,44,49)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232408
PNG
(US9346795, 85)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1cc(Br)c2n(CC)cc(Br)c2c1
Show InChI InChI=1S/C40H43Br2ClN6O5S/c1-5-8-17-47(18-9-6-2)40(52)36-35(43)25(4)49(44-36)34-15-14-27(20-31(34)39(51)48-19-16-26-12-10-11-13-28(26)23-48)38(50)45-55(53,54)29-21-30-33(42)24-46(7-3)37(30)32(41)22-29/h10-15,20-22,24H,5-9,16-19,23H2,1-4H3,(H,45,50)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232423
PNG
(US9346795, 179)
Show SMILES CCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
Show InChI InChI=1S/C43H37Cl3IN5O5S/c1-3-4-18-50(24-27-9-15-36(44)37(45)20-27)43(55)40-39(46)26(2)52(48-40)38-16-12-30(23-35(38)42(54)51-19-17-28-7-5-6-8-31(28)25-51)41(53)49-58(56,57)34-14-11-29-10-13-33(47)21-32(29)22-34/h5-16,20-23H,3-4,17-19,24-25H2,1-2H3,(H,49,53)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232443
PNG
(US9346795, 251)
Show SMILES CCCCc1c(c(nn1-c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
Show InChI InChI=1S/C49H41BrCl2N4O7S/c1-3-5-13-44-45(46(49(59)62-4-2)53-56(44)34-15-17-35(18-16-34)63-36-12-8-11-33(51)27-36)39-20-14-31(26-41(39)48(58)55-25-24-30-9-6-7-10-32(30)29-55)47(57)54-64(60,61)37-19-21-38-40(28-37)42(50)22-23-43(38)52/h6-12,14-23,26-28H,3-5,13,24-25,29H2,1-2H3,(H,54,57)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384344
PNG
(CHEMBL2031012 | US9346795, 1)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H42ClN5O5S/c1-4-6-21-44(22-7-5-2)40(49)37-36(41)27(3)46(42-37)35-19-17-31(25-34(35)39(48)45-23-20-29-13-9-11-15-32(29)26-45)38(47)43-52(50,51)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25H,4-7,20-23,26H2,1-3H3,(H,43,47)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232393
PNG
(US9346795, 38)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(CNS(=O)(=O)c2ccc3ccc(OCCC4CCCN4C)cc3c2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C47H57ClN6O5S/c1-5-7-24-52(25-8-6-2)47(56)45-44(48)33(3)54(50-45)43-20-15-34(28-42(43)46(55)53-26-21-35-12-9-10-13-37(35)32-53)31-49-60(57,58)41-19-17-36-16-18-40(29-38(36)30-41)59-27-22-39-14-11-23-51(39)4/h9-10,12-13,15-20,28-30,39,49H,5-8,11,14,21-27,31-32H2,1-4H3
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384317
PNG
(CHEMBL2030852 | US9346795, 242)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-12-44-45(43(30-53)49-52(44)37-17-21-39(22-18-37)58-38-19-15-36(48)16-20-38)41-24-14-34(28-42(41)47(55)51-26-25-32-9-5-7-11-35(32)29-51)46(54)50-59(56,57)40-23-13-31-8-4-6-10-33(31)27-40/h4-11,13-24,27-28,53H,2-3,12,25-26,29-30H2,1H3,(H,50,54)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384318
PNG
(CHEMBL2030853 | US9346795, 243)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-15-44-45(43(30-53)49-52(44)37-18-20-38(21-19-37)58-39-14-8-13-36(48)28-39)41-23-17-34(27-42(41)47(55)51-25-24-32-10-5-7-12-35(32)29-51)46(54)50-59(56,57)40-22-16-31-9-4-6-11-33(31)26-40/h4-14,16-23,26-28,53H,2-3,15,24-25,29-30H2,1H3,(H,50,54)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM50384339
PNG
(CHEMBL2031008 | US9346795, 329)
Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C38H38Cl2N6O4S/c1-3-16-45(17-4-2)38-42-22-34(40)35(43-38)30-15-13-26(19-32(30)37(48)46-23-27-9-6-5-8-25(27)18-28(46)21-41)36(47)44-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-20,22,28H,3-4,16-18,21,23,41H2,1-2H3,(H,44,47)/t28-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232412
PNG
(US9346795, 106)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CNC1CCN(C)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H56ClN7O5S/c1-5-7-23-53(24-8-6-2)47(58)44-43(48)32(3)55(50-44)42-20-18-36(45(56)51-61(59,60)40-19-17-33-13-9-10-15-35(33)28-40)29-41(42)46(57)54-31-37-16-12-11-14-34(37)27-39(54)30-49-38-21-25-52(4)26-22-38/h9-20,28-29,38-39,49H,5-8,21-27,30-31H2,1-4H3,(H,51,56)/t39-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232441
PNG
(US9346795, 230)
Show SMILES CCCCc1c(c(nn1-c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C49H43ClN4O7S/c1-3-5-17-44-45(46(49(57)60-4-2)51-54(44)38-20-22-39(23-21-38)61-40-16-10-15-37(50)30-40)42-25-19-35(29-43(42)48(56)53-27-26-33-12-7-9-14-36(33)31-53)47(55)52-62(58,59)41-24-18-32-11-6-8-13-34(32)28-41/h6-16,18-25,28-30H,3-5,17,26-27,31H2,1-2H3,(H,52,55)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384321
PNG
(CHEMBL2030856 | US9346795, 245)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(CCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C43H42N4O6S/c1-2-3-12-40-41(39(28-49)44-47(40)35-17-13-29(14-18-35)22-24-48)37-20-16-33(26-38(37)43(51)46-23-21-31-9-5-7-11-34(31)27-46)42(50)45-54(52,53)36-19-15-30-8-4-6-10-32(30)25-36/h4-11,13-20,25-26,48-49H,2-3,12,21-24,27-28H2,1H3,(H,45,50)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232387
PNG
(US9346795, 24)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OC(C)C)cc2c1
Show InChI InChI=1S/C43H48ClN5O6S/c1-6-8-21-47(22-9-7-2)43(52)40-39(44)29(5)49(45-40)38-19-16-32(26-37(38)42(51)48-23-20-30-12-10-11-13-33(30)27-48)41(50)46-56(53,54)36-18-15-31-14-17-35(55-28(3)4)24-34(31)25-36/h10-19,24-26,28H,6-9,20-23,27H2,1-5H3,(H,46,50)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232394
PNG
(US9346795, 39)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN(C)C)cc2c1
Show InChI InChI=1S/C45H53ClN6O6S/c1-6-8-23-50(24-9-7-2)45(55)42-41(46)31(3)52(47-42)40-20-17-34(29-39(40)44(54)51-25-21-32-13-10-11-14-35(32)30-51)43(53)48-59(56,57)38-19-16-33-15-18-37(27-36(33)28-38)58-26-12-22-49(4)5/h10-11,13-20,27-29H,6-9,12,21-26,30H2,1-5H3,(H,48,53)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232396
PNG
(US9346795, 43)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
Show InChI InChI=1S/C40H40BrCl2N5O5S/c1-4-6-19-46(20-7-5-2)40(51)37-36(43)25(3)48(44-37)35-17-12-27(22-32(35)39(50)47-21-18-26-10-8-9-11-28(26)24-47)38(49)45-54(52,53)29-13-14-30-31(23-29)33(41)15-16-34(30)42/h8-17,22-23H,4-7,18-21,24H2,1-3H3,(H,45,49)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232421
PNG
(US9346795, 158)
Show SMILES CCCCN(CCC(=O)NCCN1CCN(C)CC1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C46H53ClN8O6S/c1-4-5-21-53(23-19-41(56)48-20-24-52-27-25-51(3)26-28-52)46(59)43-42(47)32(2)55(49-43)40-17-15-36(30-39(40)45(58)54-22-18-34-11-7-9-13-37(34)31-54)44(57)50-62(60,61)38-16-14-33-10-6-8-12-35(33)29-38/h6-17,29-30H,4-5,18-28,31H2,1-3H3,(H,48,56)(H,50,57)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384356
PNG
(CHEMBL2031025 | US9346795, 105)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCCOC)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C45H52ClN5O7S/c1-5-7-22-49(23-8-6-2)45(54)42-41(46)31(3)51(47-42)40-21-19-35(43(52)48-59(55,56)38-20-18-32-14-9-10-16-34(32)27-38)28-39(40)44(53)50-29-36-17-12-11-15-33(36)26-37(50)30-58-25-13-24-57-4/h9-12,14-21,27-28,37H,5-8,13,22-26,29-30H2,1-4H3,(H,48,52)/t37-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232415
PNG
(US9346795, 127)
Show SMILES CCCCN(CCc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C44H40Cl3N5O5S/c1-3-4-21-50(22-19-29-13-17-37(45)38(46)24-29)44(55)41-40(47)28(2)52(48-41)39-18-15-33(26-36(39)43(54)51-23-20-31-10-6-8-12-34(31)27-51)42(53)49-58(56,57)35-16-14-30-9-5-7-11-32(30)25-35/h5-18,24-26H,3-4,19-23,27H2,1-2H3,(H,49,53)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232405
PNG
(US9346795, 82)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CCCN3CCOCC3)ccc2c1
Show InChI InChI=1S/C45H54ClN7O6S/c1-4-6-20-51(21-7-5-2)45(56)42-41(46)32(3)53(47-42)40-15-13-35(30-38(40)44(55)52-24-17-33-11-8-9-12-36(33)31-52)43(54)48-60(57,58)37-14-16-39-34(29-37)18-23-50(39)22-10-19-49-25-27-59-28-26-49/h8-9,11-16,18,23,29-30H,4-7,10,17,19-22,24-28,31H2,1-3H3,(H,48,54)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232442
PNG
(US9346795, 239)
Show SMILES CCCCc1c(c(nn1-c1ccccc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC[Si](C)(C)C
Show InChI InChI=1S/C38H46N4O6SSi/c1-6-8-18-33-34(35(38(45)48-7-2)39-42(33)30-16-10-9-11-17-30)31-20-19-28(36(43)40-49(46,47)23-24-50(3,4)5)25-32(31)37(44)41-22-21-27-14-12-13-15-29(27)26-41/h9-17,19-20,25H,6-8,18,21-24,26H2,1-5H3,(H,40,43)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232383
PNG
(US9346795, 5)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C40H41Cl2N5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(42)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(41)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232388
PNG
(US9346795, 31)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(ccc(Br)c2c1)N(C)C
Show InChI InChI=1S/C42H46BrClN6O5S/c1-6-8-21-48(22-9-7-2)42(53)39-38(44)27(3)50(45-39)37-18-14-29(24-34(37)41(52)49-23-20-28-12-10-11-13-30(28)26-49)40(51)46-56(54,55)31-15-16-32-33(25-31)35(43)17-19-36(32)47(4)5/h10-19,24-25H,6-9,20-23,26H2,1-5H3,(H,46,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384316
PNG
(CHEMBL2030851 | US9346795, 241)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2ccccc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H42N4O6S/c1-2-3-17-44-45(43(31-52)48-51(44)37-20-22-39(23-21-37)57-38-15-5-4-6-16-38)41-25-19-35(29-42(41)47(54)50-27-26-33-12-8-10-14-36(33)30-50)46(53)49-58(55,56)40-24-18-32-11-7-9-13-34(32)28-40/h4-16,18-25,28-29,52H,2-3,17,26-27,30-31H2,1H3,(H,49,53)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232395
PNG
(US9346795, 40)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCCC3)cc2c1
Show InChI InChI=1S/C47H55ClN6O6S/c1-4-6-25-52(26-7-5-2)47(57)44-43(48)33(3)54(49-44)42-20-17-36(31-41(42)46(56)53-27-21-34-13-8-9-14-37(34)32-53)45(55)50-61(58,59)40-19-16-35-15-18-39(29-38(35)30-40)60-28-12-24-51-22-10-11-23-51/h8-9,13-20,29-31H,4-7,10-12,21-28,32H2,1-3H3,(H,50,55)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM50384356
PNG
(CHEMBL2031025 | US9346795, 105)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCCOC)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C45H52ClN5O7S/c1-5-7-22-49(23-8-6-2)45(54)42-41(46)31(3)51(47-42)40-21-19-35(43(52)48-59(55,56)38-20-18-32-14-9-10-16-34(32)27-38)28-39(40)44(53)50-29-36-17-12-11-15-33(36)26-37(50)30-58-25-13-24-57-4/h9-12,14-21,27-28,37H,5-8,13,22-26,29-30H2,1-4H3,(H,48,52)/t37-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232447
PNG
(US9346795, 267)
Show SMILES CCCCN(CCCC)C(=O)c1cn(CCCN(C)C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C44H52N6O5S/c1-5-7-24-48(25-8-6-2)44(53)40-31-49(26-13-23-47(3)4)41(45-40)38-21-19-35(29-39(38)43(52)50-27-22-33-15-10-12-17-36(33)30-50)42(51)46-56(54,55)37-20-18-32-14-9-11-16-34(32)28-37/h9-12,14-21,28-29,31H,5-8,13,22-27,30H2,1-4H3,(H,46,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232428
PNG
(US9346795, 195)
Show SMILES CCCN(CCC)c1nn(c(c1Cl)C(F)(F)F)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C38H36Cl2F3N5O5S/c1-3-16-46(17-4-2)35-33(40)34(38(41,42)43)48(44-35)32-15-13-25(19-30(32)37(51)47-21-26-9-6-5-8-24(26)18-27(47)22-49)36(50)45-54(52,53)28-14-12-23-10-7-11-31(39)29(23)20-28/h5-15,19-20,27,49H,3-4,16-18,21-22H2,1-2H3,(H,45,50)/t27-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232382
PNG
(US9346795, 2)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C40H41Cl2N5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(42)26(3)47(43-37)35-18-15-29(24-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-16-17-32-28(23-31)13-10-14-34(32)41/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232418
PNG
(US9346795, 149)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C44H40ClN5O7S/c1-3-4-20-49(34-15-18-38-39(26-34)57-23-22-56-38)44(53)41-40(45)28(2)50(46-41)37-17-14-32(25-36(37)43(52)48-21-19-30-10-6-8-12-33(30)27-48)42(51)47-58(54,55)35-16-13-29-9-5-7-11-31(29)24-35/h5-18,24-26H,3-4,19-23,27H2,1-2H3,(H,47,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232427
PNG
(US9346795, 192)
Show SMILES CCCN(CCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C38H40ClN5O5S/c1-4-18-42(19-5-2)36-35(39)25(3)44(40-36)34-17-15-29(37(46)41-50(48,49)32-16-14-26-10-6-7-12-28(26)21-32)22-33(34)38(47)43-23-30-13-9-8-11-27(30)20-31(43)24-45/h6-17,21-22,31,45H,4-5,18-20,23-24H2,1-3H3,(H,41,46)/t31-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384344
PNG
(CHEMBL2031012 | US9346795, 1)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H42ClN5O5S/c1-4-6-21-44(22-7-5-2)40(49)37-36(41)27(3)46(42-37)35-19-17-31(25-34(35)39(48)45-23-20-29-13-9-11-15-32(29)26-45)38(47)43-52(50,51)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25H,4-7,20-23,26H2,1-3H3,(H,43,47)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232397
PNG
(US9346795, 44)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1
Show InChI InChI=1S/C40H40Cl3N5O5S/c1-4-6-19-46(20-7-5-2)40(51)37-36(43)25(3)48(44-37)35-17-12-27(22-32(35)39(50)47-21-18-26-10-8-9-11-28(26)24-47)38(49)45-54(52,53)29-13-14-30-31(23-29)34(42)16-15-33(30)41/h8-17,22-23H,4-7,18-21,24H2,1-3H3,(H,45,49)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232422
PNG
(US9346795, 164)
Show SMILES CCCCN(CCCC)C(=O)c1nn(cc1C)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H43N5O5S/c1-4-6-21-43(22-7-5-2)40(48)37-28(3)26-45(41-37)36-19-17-32(25-35(36)39(47)44-23-20-30-13-9-11-15-33(30)27-44)38(46)42-51(49,50)34-18-16-29-12-8-10-14-31(29)24-34/h8-19,24-26H,4-7,20-23,27H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232448
PNG
(US9346795, 269)
Show SMILES CCCCN(CCCC)C(=O)c1cn(CC(O)=O)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C41H43N5O7S/c1-3-5-21-44(22-6-4-2)41(51)35-26-46(27-37(47)48)38(42-35)33-19-18-30(24-34(33)40(50)45-23-20-28-12-7-8-14-31(28)25-45)39(49)43-54(52,53)36-17-11-15-29-13-9-10-16-32(29)36/h7-19,24,26H,3-6,20-23,25,27H2,1-2H3,(H,43,49)(H,47,48)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232386
PNG
(US9346795, 18)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCc3ccccc3)cc2c1
Show InChI InChI=1S/C47H48ClN5O6S/c1-4-6-24-51(25-7-5-2)47(56)44-43(48)32(3)53(49-44)42-22-19-36(29-41(42)46(55)52-26-23-34-15-11-12-16-37(34)30-52)45(54)50-60(57,58)40-21-18-35-17-20-39(27-38(35)28-40)59-31-33-13-9-8-10-14-33/h8-22,27-29H,4-7,23-26,30-31H2,1-3H3,(H,50,54)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232417
PNG
(US9346795, 130)
Show SMILES Cc1c(Cl)c(nn1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(CCC(F)(F)F)CCC(F)(F)F
Show InChI InChI=1S/C38H32ClF6N5O5S/c1-23-32(39)33(36(53)48(18-15-37(40,41)42)19-16-38(43,44)45)46-50(23)31-13-11-27(21-30(31)35(52)49-17-14-25-7-3-5-9-28(25)22-49)34(51)47-56(54,55)29-12-10-24-6-2-4-8-26(24)20-29/h2-13,20-21H,14-19,22H2,1H3,(H,47,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232429
PNG
(US9346795, 196)
Show SMILES CCCN(CCC)c1nn(c(c1Cl)C(F)(F)F)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C37H34Cl2F3N5O4S/c1-3-17-45(18-4-2)34-32(39)33(37(40,41)42)47(43-34)31-15-13-25(20-29(31)36(49)46-19-16-23-8-5-6-9-26(23)22-46)35(48)44-52(50,51)27-14-12-24-10-7-11-30(38)28(24)21-27/h5-15,20-21H,3-4,16-19,22H2,1-2H3,(H,44,48)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232439
PNG
(US9346795, 221)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H39Cl4N5O5S/c1-3-4-23-56(36-11-7-10-32(25-36)31-12-15-35(49)16-13-31)48(60)45-44(52)29(2)57(53-45)43-21-14-33(26-40(43)47(59)55-24-22-30-8-5-6-9-34(30)28-55)46(58)54-63(61,62)37-17-18-38-39(27-37)42(51)20-19-41(38)50/h5-21,25-27H,3-4,22-24,28H2,1-2H3,(H,54,58)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232398
PNG
(US9346795, 46)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C46H52ClN7O6S/c1-5-7-20-51(21-8-6-2)46(58)42-41(47)31(3)54(48-42)40-18-16-34(29-39(40)45(57)53-22-19-32-11-9-10-12-36(32)30-53)43(55)49-61(59,60)38-17-15-33-13-14-35(27-37(33)28-38)44(56)52-25-23-50(4)24-26-52/h9-18,27-29H,5-8,19-26,30H2,1-4H3,(H,49,55)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384349
PNG
(CHEMBL2031018 | US9346795, 11)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384363
PNG
(CHEMBL2031014 | US9346795, 27)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1
Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-20-51(21-7-5-2)46(56)43-42(47)32(3)53(48-43)40-18-16-35(29-39(40)45(55)52-22-19-33-11-8-9-12-36(33)31-52)44(54)49-61(57,58)37-17-15-34-13-10-14-41(38(34)30-37)60-28-25-50-23-26-59-27-24-50/h8-18,29-30H,4-7,19-28,31H2,1-3H3,(H,49,54)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232390
PNG
(US9346795, 34)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCOCC3)cc2c1
Show InChI InChI=1S/C47H55ClN6O7S/c1-4-6-21-52(22-7-5-2)47(57)44-43(48)33(3)54(49-44)42-18-15-36(31-41(42)46(56)53-23-19-34-11-8-9-12-37(34)32-53)45(55)50-62(58,59)40-17-14-35-13-16-39(29-38(35)30-40)61-26-10-20-51-24-27-60-28-25-51/h8-9,11-18,29-31H,4-7,10,19-28,32H2,1-3H3,(H,50,55)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232425
PNG
(US9346795, 189)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C46H49Cl3N6O6S/c1-4-6-19-52(20-7-5-2)46(59)43-42(49)29(3)55(50-43)41-16-13-33(25-37(41)45(58)54-27-34-11-9-8-10-31(34)23-35(54)28-56)44(57)51-62(60,61)36-14-17-40-32(24-36)18-21-53(40)26-30-12-15-38(47)39(48)22-30/h8-17,22,24-25,35,56H,4-7,18-21,23,26-28H2,1-3H3,(H,51,57)/t35-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232439
PNG
(US9346795, 221)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H39Cl4N5O5S/c1-3-4-23-56(36-11-7-10-32(25-36)31-12-15-35(49)16-13-31)48(60)45-44(52)29(2)57(53-45)43-21-14-33(26-40(43)47(59)55-24-22-30-8-5-6-9-34(30)28-55)46(58)54-63(61,62)37-17-18-38-39(27-37)42(51)20-19-41(38)50/h5-21,25-27H,3-4,22-24,28H2,1-2H3,(H,54,58)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232391
PNG
(US9346795, 35)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCN(C)CC3)cc2c1
Show InChI InChI=1S/C48H58ClN7O6S/c1-5-7-22-54(23-8-6-2)48(59)45-44(49)34(3)56(50-45)43-19-16-37(32-42(43)47(58)55-24-20-35-12-9-10-13-38(35)33-55)46(57)51-63(60,61)41-18-15-36-14-17-40(30-39(36)31-41)62-29-11-21-53-27-25-52(4)26-28-53/h9-10,12-19,30-32H,5-8,11,20-29,33H2,1-4H3,(H,51,57)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232406
PNG
(US9346795, 83)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CC)cc(Cl)c2c1
Show InChI InChI=1S/C40H44Cl2N6O5S/c1-5-8-19-46(20-9-6-2)40(51)37-36(42)26(4)48(43-37)35-16-14-28(22-32(35)39(50)47-21-18-27-12-10-11-13-29(27)24-47)38(49)44-54(52,53)30-15-17-34-31(23-30)33(41)25-45(34)7-3/h10-17,22-23,25H,5-9,18-21,24H2,1-4H3,(H,44,49)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232434
PNG
(US9346795, 207)
Show SMILES CCCN(CCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
Show InChI InChI=1S/C38H38BrCl2N5O5S/c1-4-16-44(17-5-2)36-35(41)23(3)46(42-36)34-15-10-25(19-31(34)38(49)45-21-26-9-7-6-8-24(26)18-27(45)22-47)37(48)43-52(50,51)28-11-12-29-30(20-28)32(39)13-14-33(29)40/h6-15,19-20,27,47H,4-5,16-18,21-22H2,1-3H3,(H,43,48)/t27-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232440
PNG
(US9346795, 222)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1)c1cccc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C48H39Cl4N5O5S/c1-3-4-22-56(36-14-8-12-32(25-36)31-11-7-13-35(49)24-31)48(60)45-44(52)29(2)57(53-45)43-20-15-33(26-40(43)47(59)55-23-21-30-9-5-6-10-34(30)28-55)46(58)54-63(61,62)37-16-17-38-39(27-37)42(51)19-18-41(38)50/h5-20,24-27H,3-4,21-23,28H2,1-2H3,(H,54,58)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM50384317
PNG
(CHEMBL2030852 | US9346795, 242)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-12-44-45(43(30-53)49-52(44)37-17-21-39(22-18-37)58-38-19-15-36(48)16-20-38)41-24-14-34(28-42(41)47(55)51-26-25-32-9-5-7-11-35(32)29-51)46(54)50-59(56,57)40-23-13-31-8-4-6-10-33(31)27-40/h4-11,13-24,27-28,53H,2-3,12,25-26,29-30H2,1H3,(H,50,54)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232445
PNG
(US9346795, 264)
Show SMILES CCCCN(CCCC)C(=O)c1cn(C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H43N5O5S/c1-4-6-21-44(22-7-5-2)40(48)36-27-43(3)37(41-36)34-19-17-31(25-35(34)39(47)45-23-20-29-13-9-11-15-32(29)26-45)38(46)42-51(49,50)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25,27H,4-7,20-23,26H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384348
PNG
(CHEMBL2031017 | US9346795, 7)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384353
PNG
(CHEMBL2031022 | US9346795, 59)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C45H47Cl3N6O5S/c1-4-6-20-51(21-7-5-2)45(57)42-41(48)29(3)54(49-42)40-16-13-33(26-36(40)44(56)53-23-18-31-10-8-9-11-34(31)28-53)43(55)50-60(58,59)35-14-17-39-32(25-35)19-22-52(39)27-30-12-15-37(46)38(47)24-30/h8-17,24-26H,4-7,18-23,27-28H2,1-3H3,(H,50,55)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM50384348
PNG
(CHEMBL2031017 | US9346795, 7)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232403
PNG
(US9346795, 68)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)ccc2c1
Show InChI InChI=1S/C45H45Cl3N6O5S/c1-4-6-20-51(21-7-5-2)45(57)42-41(48)29(3)54(49-42)40-16-13-33(26-36(40)44(56)53-23-18-31-10-8-9-11-34(31)28-53)43(55)50-60(58,59)35-14-17-39-32(25-35)19-22-52(39)27-30-12-15-37(46)38(47)24-30/h8-17,19,22,24-26H,4-7,18,20-21,23,27-28H2,1-3H3,(H,50,55)
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384349
PNG
(CHEMBL2031018 | US9346795, 11)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232389
PNG
(US9346795, 32)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCCN3CCOCC3)c2c1
Show InChI InChI=1S/C47H55ClN6O7S/c1-4-6-22-52(23-7-5-2)47(57)44-43(48)33(3)54(49-44)41-19-17-36(30-40(41)46(56)53-24-20-34-12-8-9-13-37(34)32-53)45(55)50-62(58,59)38-18-16-35-14-10-15-42(39(35)31-38)61-27-11-21-51-25-28-60-29-26-51/h8-10,12-19,30-31H,4-7,11,20-29,32H2,1-3H3,(H,50,55)
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232402
PNG
(US9346795, 67)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCSc3ccccc3)CCc2c1
Show InChI InChI=1S/C46H51ClN6O5S2/c1-4-6-23-51(24-7-5-2)46(56)43-42(47)32(3)53(48-43)41-19-17-35(30-39(41)45(55)52-26-21-33-13-11-12-14-36(33)31-52)44(54)49-60(57,58)38-18-20-40-34(29-38)22-25-50(40)27-28-59-37-15-9-8-10-16-37/h8-20,29-30H,4-7,21-28,31H2,1-3H3,(H,49,54)
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232414
PNG
(US9346795, 119)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C43H48ClN5O7S/c1-4-6-20-47(21-7-5-2)43(53)40-39(44)29(3)49(45-40)38-19-17-33(41(51)46-57(54,55)36-18-16-30-12-8-9-14-32(30)25-36)26-37(38)42(52)48-27-34-15-11-10-13-31(34)24-35(48)28-56-23-22-50/h8-19,25-26,35,50H,4-7,20-24,27-28H2,1-3H3,(H,46,51)/t35-/m0/s1
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232430
PNG
(US9346795, 198)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)ccc2c1
Show InChI InChI=1S/C46H47Cl3N6O6S/c1-4-6-19-52(20-7-5-2)46(59)43-42(49)29(3)55(50-43)41-16-13-33(25-37(41)45(58)54-27-34-11-9-8-10-31(34)23-35(54)28-56)44(57)51-62(60,61)36-14-17-40-32(24-36)18-21-53(40)26-30-12-15-38(47)39(48)22-30/h8-18,21-22,24-25,35,56H,4-7,19-20,23,26-28H2,1-3H3,(H,51,57)/t35-/m0/s1
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384355
PNG
(CHEMBL2031024 | US9346795, 91)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H44ClN5O6S/c1-4-6-20-45(21-7-5-2)41(51)38-37(42)27(3)47(43-38)36-19-17-31(39(49)44-54(52,53)34-18-16-28-12-8-9-14-30(28)23-34)24-35(36)40(50)46-25-32-15-11-10-13-29(32)22-33(46)26-48/h8-19,23-24,33,48H,4-7,20-22,25-26H2,1-3H3,(H,44,49)/t33-/m0/s1
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232419
PNG
(US9346795, 152)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C48H41Cl2N5O5S/c1-3-4-24-54(40-18-10-16-35(27-40)34-15-9-17-39(49)26-34)48(58)45-44(50)31(2)55(51-45)43-22-20-37(29-42(43)47(57)53-25-23-33-12-6-8-14-38(33)30-53)46(56)52-61(59,60)41-21-19-32-11-5-7-13-36(32)28-41/h5-22,26-29H,3-4,23-25,30H2,1-2H3,(H,52,56)
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232387
PNG
(US9346795, 24)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OC(C)C)cc2c1
Show InChI InChI=1S/C43H48ClN5O6S/c1-6-8-21-47(22-9-7-2)43(52)40-39(44)29(5)49(45-40)38-19-16-32(26-37(38)42(51)48-23-20-30-12-10-11-13-33(30)27-48)41(50)46-56(53,54)36-18-15-31-14-17-35(55-28(3)4)24-34(31)25-36/h10-19,24-26,28H,6-9,20-23,27H2,1-5H3,(H,46,50)
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232437
PNG
(US9346795, 214)
Show SMILES Cc1c(Cl)c(nn1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1)C(=O)NCc1ccc(cc1)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C52H43Cl3N6O7S/c1-31-48(55)49(51(65)56-28-33-8-13-37(14-9-33)36-11-6-32(7-12-36)25-47(62)63)57-61(31)46-18-15-39(27-42(46)52(66)60-23-20-35-4-2-3-5-40(35)30-60)50(64)58-69(67,68)41-16-19-45-38(26-41)21-22-59(45)29-34-10-17-43(53)44(54)24-34/h2-19,24,26-27H,20-23,25,28-30H2,1H3,(H,56,65)(H,58,64)(H,62,63)
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232424
PNG
(US9346795, 181)
Show SMILES CCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C44H39Cl4N5O6S/c1-3-4-18-51(23-27-12-16-37(46)38(47)19-27)44(57)41-40(48)26(2)53(49-41)39-17-14-30(21-35(39)43(56)52-24-31-9-6-5-8-29(31)20-32(52)25-54)42(55)50-60(58,59)33-15-13-28-10-7-11-36(45)34(28)22-33/h5-17,19,21-22,32,54H,3-4,18,20,23-25H2,1-2H3,(H,50,55)/t32-/m0/s1
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232443
PNG
(US9346795, 251)
Show SMILES CCCCc1c(c(nn1-c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1
Show InChI InChI=1S/C49H41BrCl2N4O7S/c1-3-5-13-44-45(46(49(59)62-4-2)53-56(44)34-15-17-35(18-16-34)63-36-12-8-11-33(51)27-36)39-20-14-31(26-41(39)48(58)55-25-24-30-9-6-7-10-32(30)29-55)47(57)54-64(60,61)37-19-21-38-40(28-37)42(50)22-23-43(38)52/h6-12,14-23,26-28H,3-5,13,24-25,29H2,1-2H3,(H,54,57)
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232404
PNG
(US9346795, 74)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C43H50ClN7O7S/c1-4-6-18-47(19-7-5-2)42(54)39-38(44)29(3)51(45-39)37-14-12-32(27-35(37)41(53)49-20-16-30-10-8-9-11-33(30)28-49)40(52)46-59(56,57)34-13-15-36-31(26-34)17-21-50(36)43(55)48-22-24-58-25-23-48/h8-15,26-27H,4-7,16-25,28H2,1-3H3,(H,46,52)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232449
PNG
(US9346795, 277)
Show SMILES CCCCN(CCCC)C(=O)c1cn(CCN2CCOCC2)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C46H54N6O7S/c1-3-5-19-50(20-6-4-2)46(56)42-31-51(22-21-49-23-25-59-26-24-49)43(47-42)40-18-16-36(44(54)48-60(57,58)39-17-15-33-11-7-8-13-35(33)28-39)29-41(40)45(55)52-30-37-14-10-9-12-34(37)27-38(52)32-53/h7-18,28-29,31,38,53H,3-6,19-27,30,32H2,1-2H3,(H,48,54)/t38-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232452
PNG
(US9346795, 289)
Show SMILES CCCCN(CCCC)c1ccc(Br)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C40H40BrClN4O4S/c1-3-5-21-45(22-6-4-2)37-19-18-35(41)38(43-37)32-17-15-29(24-34(32)40(48)46-23-20-27-10-7-8-11-30(27)26-46)39(47)44-51(49,50)31-16-14-28-12-9-13-36(42)33(28)25-31/h7-19,24-25H,3-6,20-23,26H2,1-2H3,(H,44,47)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232441
PNG
(US9346795, 230)
Show SMILES CCCCc1c(c(nn1-c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C49H43ClN4O7S/c1-3-5-17-44-45(46(49(57)60-4-2)51-54(44)38-20-22-39(23-21-38)61-40-16-10-15-37(50)30-40)42-25-19-35(29-43(42)48(56)53-27-26-33-12-7-9-14-36(33)31-53)47(55)52-62(58,59)41-24-18-32-11-6-8-13-34(32)28-41/h6-16,18-25,28-30H,3-5,17,26-27,31H2,1-2H3,(H,52,55)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232453
PNG
(US9346795, 315)
Show SMILES CCCCN(CCCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H42ClN5O5S/c1-3-5-19-45(20-6-4-2)40-42-24-36(41)37(43-40)34-18-16-30(38(48)44-52(50,51)33-17-15-27-11-7-8-13-29(27)22-33)23-35(34)39(49)46-25-31-14-10-9-12-28(31)21-32(46)26-47/h7-18,22-24,32,47H,3-6,19-21,25-26H2,1-2H3,(H,44,48)/t32-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232402
PNG
(US9346795, 67)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCSc3ccccc3)CCc2c1
Show InChI InChI=1S/C46H51ClN6O5S2/c1-4-6-23-51(24-7-5-2)46(56)43-42(47)32(3)53(48-43)41-19-17-35(30-39(41)45(55)52-26-21-33-13-11-12-14-36(33)31-52)44(54)49-60(57,58)38-18-20-40-34(29-38)22-25-50(40)27-28-59-37-15-9-8-10-16-37/h8-20,29-30H,4-7,21-28,31H2,1-3H3,(H,49,54)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232427
PNG
(US9346795, 192)
Show SMILES CCCN(CCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C38H40ClN5O5S/c1-4-18-42(19-5-2)36-35(39)25(3)44(40-36)34-17-15-29(37(46)41-50(48,49)32-16-14-26-10-6-7-12-28(26)21-32)22-33(34)38(47)43-23-30-13-9-8-11-27(30)20-31(43)24-45/h6-17,21-22,31,45H,4-5,18-20,23-24H2,1-3H3,(H,41,46)/t31-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM50384361
PNG
(CHEMBL2031031 | US9346795, 96)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1COc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H40ClN5O6S/c1-4-6-20-43(21-7-5-2)39(48)36-35(40)26(3)45(41-36)33-19-17-29(23-32(33)38(47)44-24-30-14-10-11-15-34(30)51-25-44)37(46)42-52(49,50)31-18-16-27-12-8-9-13-28(27)22-31/h8-19,22-23H,4-7,20-21,24-25H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM50384315
PNG
(CHEMBL2030850 | US9346795, 228)
Show SMILES CCCCc1c(c(nn1-c1ccc(Oc2ccccc2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C49H44N4O7S/c1-3-5-19-44-45(46(49(56)59-4-2)50-53(44)38-22-24-40(25-23-38)60-39-17-7-6-8-18-39)42-27-21-36(31-43(42)48(55)52-29-28-34-14-10-12-16-37(34)32-52)47(54)51-61(57,58)41-26-20-33-13-9-11-15-35(33)30-41/h6-18,20-27,30-31H,3-5,19,28-29,32H2,1-2H3,(H,51,54)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384352
PNG
(CHEMBL2031021 | US9346795, 53)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CC)CCc2c1
Show InChI InChI=1S/C40H47ClN6O5S/c1-5-8-20-45(21-9-6-2)40(50)37-36(41)27(4)47(42-37)35-16-14-30(25-33(35)39(49)46-23-18-28-12-10-11-13-31(28)26-46)38(48)43-53(51,52)32-15-17-34-29(24-32)19-22-44(34)7-3/h10-17,24-25H,5-9,18-23,26H2,1-4H3,(H,43,48)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232388
PNG
(US9346795, 31)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(ccc(Br)c2c1)N(C)C
Show InChI InChI=1S/C42H46BrClN6O5S/c1-6-8-21-48(22-9-7-2)42(53)39-38(44)27(3)50(45-39)37-18-14-29(24-34(37)41(52)49-23-20-28-12-10-11-13-30(28)26-49)40(51)46-56(54,55)31-15-16-32-33(25-31)35(43)17-19-36(32)47(4)5/h10-19,24-25H,6-9,20-23,26H2,1-5H3,(H,46,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232446
PNG
(US9346795, 265)
Show SMILES CCCCN(CCCC)C(=O)c1cn(CC(=O)NC)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C42H46N6O6S/c1-4-6-21-46(22-7-5-2)42(52)37-27-48(28-38(49)43-3)39(44-37)35-19-17-32(25-36(35)41(51)47-23-20-30-13-9-11-15-33(30)26-47)40(50)45-55(53,54)34-18-16-29-12-8-10-14-31(29)24-34/h8-19,24-25,27H,4-7,20-23,26,28H2,1-3H3,(H,43,49)(H,45,50)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232383
PNG
(US9346795, 5)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C40H41Cl2N5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(42)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(41)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232440
PNG
(US9346795, 222)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1)c1cccc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C48H39Cl4N5O5S/c1-3-4-22-56(36-14-8-12-32(25-36)31-11-7-13-35(49)24-31)48(60)45-44(52)29(2)57(53-45)43-20-15-33(26-40(43)47(59)55-23-21-30-9-5-6-10-34(30)28-55)46(58)54-63(61,62)37-16-17-38-39(27-37)42(51)19-18-41(38)50/h5-20,24-27H,3-4,21-23,28H2,1-2H3,(H,54,58)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232418
PNG
(US9346795, 149)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C44H40ClN5O7S/c1-3-4-20-49(34-15-18-38-39(26-34)57-23-22-56-38)44(53)41-40(45)28(2)50(46-41)37-17-14-32(25-36(37)43(52)48-21-19-30-10-6-8-12-33(30)27-48)42(51)47-58(54,55)35-16-13-29-9-5-7-11-31(29)24-35/h5-18,24-26H,3-4,19-23,27H2,1-2H3,(H,47,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232451
PNG
(US9346795, 286)
Show SMILES CCCCN(CCCC)C(=O)c1cccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H42N4O5S/c1-3-5-23-44(24-6-4-2)41(48)38-17-11-16-37(42-38)35-21-19-32(27-36(35)40(47)45-25-22-30-13-8-10-15-33(30)28-45)39(46)43-51(49,50)34-20-18-29-12-7-9-14-31(29)26-34/h7-21,26-27H,3-6,22-25,28H2,1-2H3,(H,43,46)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232421
PNG
(US9346795, 158)
Show SMILES CCCCN(CCC(=O)NCCN1CCN(C)CC1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C46H53ClN8O6S/c1-4-5-21-53(23-19-41(56)48-20-24-52-27-25-51(3)26-28-52)46(59)43-42(47)32(2)55(49-43)40-17-15-36(30-39(40)45(58)54-22-18-34-11-7-9-13-37(34)31-54)44(57)50-62(60,61)38-16-14-33-10-6-8-12-35(33)29-38/h6-17,29-30H,4-5,18-28,31H2,1-3H3,(H,48,56)(H,50,57)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232438
PNG
(US9346795, 217)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)ccc(Br)c2c1)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H39BrCl3N5O5S/c1-3-4-23-56(36-11-7-10-32(25-36)31-12-15-35(50)16-13-31)48(60)45-44(52)29(2)57(53-45)43-21-14-33(26-40(43)47(59)55-24-22-30-8-5-6-9-34(30)28-55)46(58)54-63(61,62)37-17-18-38-39(27-37)41(49)19-20-42(38)51/h5-21,25-27H,3-4,22-24,28H2,1-2H3,(H,54,58)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232399
PNG
(US9346795, 48)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)C(=O)N(C)C
Show InChI InChI=1S/C43H47ClN6O6S/c1-6-8-21-48(22-9-7-2)43(54)39-38(44)28(3)50(45-39)37-19-17-31(26-36(37)42(53)49-23-20-29-12-10-11-13-33(29)27-49)40(51)46-57(55,56)35-18-16-30-14-15-32(24-34(30)25-35)41(52)47(4)5/h10-19,24-26H,6-9,20-23,27H2,1-5H3,(H,46,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232436
PNG
(US9346795, 213)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccc(CC(O)=O)cc1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C56H51Cl3N6O7S/c1-3-4-25-63(32-37-11-16-41(17-12-37)40-14-9-36(10-15-40)29-51(66)67)56(70)53-52(59)35(2)65(60-53)50-21-18-43(31-46(50)55(69)64-27-23-39-7-5-6-8-44(39)34-64)54(68)61-73(71,72)45-19-22-49-42(30-45)24-26-62(49)33-38-13-20-47(57)48(58)28-38/h5-22,28,30-31H,3-4,23-27,29,32-34H2,1-2H3,(H,61,68)(H,66,67)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232453
PNG
(US9346795, 315)
Show SMILES CCCCN(CCCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H42ClN5O5S/c1-3-5-19-45(20-6-4-2)40-42-24-36(41)37(43-40)34-18-16-30(38(48)44-52(50,51)33-17-15-27-11-7-8-13-29(27)22-33)23-35(34)39(49)46-25-31-14-10-9-12-28(31)21-32(46)26-47/h7-18,22-24,32,47H,3-6,19-21,25-26H2,1-2H3,(H,44,48)/t32-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232420
PNG
(US9346795, 154)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C44H40ClN5O7S/c1-4-5-23-49(35-18-14-31(15-19-35)44(54)57-3)43(53)40-39(45)28(2)50(46-40)38-21-17-33(26-37(38)42(52)48-24-22-30-11-7-9-13-34(30)27-48)41(51)47-58(55,56)36-20-16-29-10-6-8-12-32(29)25-36/h6-21,25-26H,4-5,22-24,27H2,1-3H3,(H,47,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232416
PNG
(US9346795, 128)
Show SMILES CCCCN(CCCC(F)(F)F)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H39ClF3N5O5S/c1-3-4-20-47(21-9-19-40(42,43)44)39(52)36-35(41)26(2)49(45-36)34-17-15-30(24-33(34)38(51)48-22-18-28-11-6-8-13-31(28)25-48)37(50)46-55(53,54)32-16-14-27-10-5-7-12-29(27)23-32/h5-8,10-17,23-24H,3-4,9,18-22,25H2,1-2H3,(H,46,50)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232417
PNG
(US9346795, 130)
Show SMILES Cc1c(Cl)c(nn1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(CCC(F)(F)F)CCC(F)(F)F
Show InChI InChI=1S/C38H32ClF6N5O5S/c1-23-32(39)33(36(53)48(18-15-37(40,41)42)19-16-38(43,44)45)46-50(23)31-13-11-27(21-30(31)35(52)49-17-14-25-7-3-5-9-28(25)22-49)34(51)47-56(54,55)29-12-10-24-6-2-4-8-26(24)20-29/h2-13,20-21H,14-19,22H2,1H3,(H,47,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232407
PNG
(US9346795, 84)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CC)cc(I)c2c1
Show InChI InChI=1S/C40H44ClIN6O5S/c1-5-8-19-46(20-9-6-2)40(51)37-36(41)26(4)48(43-37)35-16-14-28(22-32(35)39(50)47-21-18-27-12-10-11-13-29(27)24-47)38(49)44-54(52,53)30-15-17-34-31(23-30)33(42)25-45(34)7-3/h10-17,22-23,25H,5-9,18-21,24H2,1-4H3,(H,44,49)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232423
PNG
(US9346795, 179)
Show SMILES CCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1
Show InChI InChI=1S/C43H37Cl3IN5O5S/c1-3-4-18-50(24-27-9-15-36(44)37(45)20-27)43(55)40-39(46)26(2)52(48-40)38-16-12-30(23-35(38)42(54)51-19-17-28-7-5-6-8-31(28)25-51)41(53)49-58(56,57)34-14-11-29-10-13-33(47)21-32(29)22-34/h5-16,20-23H,3-4,17-19,24-25H2,1-2H3,(H,49,53)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232385
PNG
(US9346795, 10)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(Cl)cc2c1
Show InChI InChI=1S/C40H41Cl2N5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(42)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(41)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232385
PNG
(US9346795, 10)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(Cl)cc2c1
Show InChI InChI=1S/C40H41Cl2N5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(42)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(41)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232413
PNG
(US9346795, 115)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(CCO)CC1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H56ClN7O6S/c1-4-6-20-53(21-7-5-2)47(59)44-43(48)33(3)55(49-44)42-19-17-37(45(57)50-62(60,61)40-18-16-34-12-8-9-14-36(34)29-40)30-41(42)46(58)54-31-38-15-11-10-13-35(38)28-39(54)32-52-24-22-51(23-25-52)26-27-56/h8-19,29-30,39,56H,4-7,20-28,31-32H2,1-3H3,(H,50,57)/t39-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232398
PNG
(US9346795, 46)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C46H52ClN7O6S/c1-5-7-20-51(21-8-6-2)46(58)42-41(47)31(3)54(48-42)40-18-16-34(29-39(40)45(57)53-22-19-32-11-9-10-12-36(32)30-53)43(55)49-61(59,60)38-17-15-33-13-14-35(27-37(33)28-38)44(56)52-25-23-50(4)24-26-52/h9-18,27-29H,5-8,19-26,30H2,1-4H3,(H,49,55)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232420
PNG
(US9346795, 154)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C44H40ClN5O7S/c1-4-5-23-49(35-18-14-31(15-19-35)44(54)57-3)43(53)40-39(45)28(2)50(46-40)38-21-17-33(26-37(38)42(52)48-24-22-30-11-7-9-13-34(30)27-48)41(51)47-58(55,56)36-20-16-29-10-6-8-12-32(29)25-36/h6-21,25-26H,4-5,22-24,27H2,1-3H3,(H,47,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384315
PNG
(CHEMBL2030850 | US9346795, 228)
Show SMILES CCCCc1c(c(nn1-c1ccc(Oc2ccccc2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C49H44N4O7S/c1-3-5-19-44-45(46(49(56)59-4-2)50-53(44)38-22-24-40(25-23-38)60-39-17-7-6-8-18-39)42-27-21-36(31-43(42)48(55)52-29-28-34-14-10-12-16-37(34)32-52)47(54)51-61(57,58)41-26-20-33-13-9-11-15-35(33)30-41/h6-18,20-27,30-31H,3-5,19,28-29,32H2,1-2H3,(H,51,54)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232445
PNG
(US9346795, 264)
Show SMILES CCCCN(CCCC)C(=O)c1cn(C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H43N5O5S/c1-4-6-21-44(22-7-5-2)40(48)36-27-43(3)37(41-36)34-19-17-31(25-35(34)39(47)45-23-20-29-13-9-11-15-32(29)26-45)38(46)42-51(49,50)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25,27H,4-7,20-23,26H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384363
PNG
(CHEMBL2031014 | US9346795, 27)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCN3CCOCC3)c2c1
Show InChI InChI=1S/C46H53ClN6O7S/c1-4-6-20-51(21-7-5-2)46(56)43-42(47)32(3)53(48-43)40-18-16-35(29-39(40)45(55)52-22-19-33-11-8-9-12-36(33)31-52)44(54)49-61(57,58)37-17-15-34-13-10-14-41(38(34)30-37)60-28-25-50-23-26-59-27-24-50/h8-18,29-30H,4-7,19-28,31H2,1-3H3,(H,49,54)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232416
PNG
(US9346795, 128)
Show SMILES CCCCN(CCCC(F)(F)F)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H39ClF3N5O5S/c1-3-4-20-47(21-9-19-40(42,43)44)39(52)36-35(41)26(2)49(45-36)34-17-15-30(24-33(34)38(51)48-22-18-28-11-6-8-13-31(28)25-48)37(50)46-55(53,54)32-16-14-27-10-5-7-12-29(27)23-32/h5-8,10-17,23-24H,3-4,9,18-22,25H2,1-2H3,(H,46,50)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232403
PNG
(US9346795, 68)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)ccc2c1
Show InChI InChI=1S/C45H45Cl3N6O5S/c1-4-6-20-51(21-7-5-2)45(57)42-41(48)29(3)54(49-42)40-16-13-33(26-36(40)44(56)53-23-18-31-10-8-9-11-34(31)28-53)43(55)50-60(58,59)35-14-17-39-32(25-35)19-22-52(39)27-30-12-15-37(46)38(47)24-30/h8-17,19,22,24-26H,4-7,18,20-21,23,27-28H2,1-3H3,(H,50,55)
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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232449
PNG
(US9346795, 277)
Show SMILES CCCCN(CCCC)C(=O)c1cn(CCN2CCOCC2)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C46H54N6O7S/c1-3-5-19-50(20-6-4-2)46(56)42-31-51(22-21-49-23-25-59-26-24-49)43(47-42)40-18-16-36(44(54)48-60(57,58)39-17-15-33-11-7-8-13-35(33)28-39)29-41(40)45(55)52-30-37-14-10-9-12-34(37)27-38(52)32-53/h7-18,28-29,31,38,53H,3-6,19-27,30,32H2,1-2H3,(H,48,54)/t38-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384361
PNG
(CHEMBL2031031 | US9346795, 96)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1COc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H40ClN5O6S/c1-4-6-20-43(21-7-5-2)39(48)36-35(40)26(3)45(41-36)33-19-17-29(23-32(33)38(47)44-24-30-14-10-11-15-34(30)51-25-44)37(46)42-52(49,50)31-18-16-27-12-8-9-13-28(27)22-31/h8-19,22-23H,4-7,20-21,24-25H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232411
PNG
(US9346795, 104)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2S(=O)(=O)C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H40ClN5O7S2/c1-4-6-20-43(21-7-5-2)39(48)36-35(40)26(3)45(41-36)33-19-17-29(37(46)42-54(51,52)31-18-16-27-12-8-9-13-28(27)22-31)23-32(33)38(47)44-24-30-14-10-11-15-34(30)53(49,50)25-44/h8-19,22-23H,4-7,20-21,24-25H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50384316
PNG
(CHEMBL2030851 | US9346795, 241)
Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2ccccc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C47H42N4O6S/c1-2-3-17-44-45(43(31-52)48-51(44)37-20-22-39(23-21-37)57-38-15-5-4-6-16-38)41-25-19-35(29-42(41)47(54)50-27-26-33-12-8-10-14-36(33)30-50)46(53)49-58(55,56)40-24-18-32-11-7-9-13-34(32)28-40/h4-16,18-25,28-29,52H,2-3,17,26-27,30-31H2,1H3,(H,49,53)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232431
PNG
(US9346795, 200)
Show SMILES CCCCN(CCC(=O)NCCN1CCN(C)CC1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C51H58Cl3N9O6S/c1-4-5-20-60(23-18-46(64)55-19-24-59-27-25-58(3)26-28-59)51(67)48-47(54)34(2)63(56-48)45-14-11-38(31-41(45)50(66)62-22-16-36-8-6-7-9-39(36)33-62)49(65)57-70(68,69)40-12-15-44-37(30-40)17-21-61(44)32-35-10-13-42(52)43(53)29-35/h6-15,29-31H,4-5,16-28,32-33H2,1-3H3,(H,55,64)(H,57,65)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232448
PNG
(US9346795, 269)
Show SMILES CCCCN(CCCC)C(=O)c1cn(CC(O)=O)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C41H43N5O7S/c1-3-5-21-44(22-6-4-2)41(51)35-26-46(27-37(47)48)38(42-35)33-19-18-30(24-34(33)40(50)45-23-20-28-12-7-8-14-31(28)25-45)39(49)43-54(52,53)36-17-11-15-29-13-9-10-16-32(29)36/h7-19,24,26H,3-6,20-23,25,27H2,1-2H3,(H,43,49)(H,47,48)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232399
PNG
(US9346795, 48)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(cc2c1)C(=O)N(C)C
Show InChI InChI=1S/C43H47ClN6O6S/c1-6-8-21-48(22-9-7-2)43(54)39-38(44)28(3)50(45-39)37-19-17-31(26-36(37)42(53)49-23-20-29-12-10-11-13-33(29)27-49)40(51)46-57(55,56)35-18-16-30-14-15-32(24-34(30)25-35)41(52)47(4)5/h10-19,24-26H,6-9,20-23,27H2,1-5H3,(H,46,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232419
PNG
(US9346795, 152)
Show SMILES CCCCN(C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C48H41Cl2N5O5S/c1-3-4-24-54(40-18-10-16-35(27-40)34-15-9-17-39(49)26-34)48(58)45-44(50)31(2)55(51-45)43-22-20-37(29-42(43)47(57)53-25-23-33-12-6-8-14-38(33)30-53)46(56)52-61(59,60)41-21-19-32-11-5-7-13-36(32)28-41/h5-22,26-29H,3-4,23-25,30H2,1-2H3,(H,52,56)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232454
PNG
(US9346795, 322)
Show SMILES CCCCN(Cc1ccc(Cl)c(Cl)c1)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C42H35Cl4N5O4S/c1-2-3-18-51(24-26-11-16-36(44)37(45)20-26)42-47-23-38(46)39(48-42)32-15-13-29(21-34(32)41(53)50-19-17-27-7-4-5-8-30(27)25-50)40(52)49-56(54,55)31-14-12-28-9-6-10-35(43)33(28)22-31/h4-16,20-23H,2-3,17-19,24-25H2,1H3,(H,49,52)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232401
PNG
(US9346795, 64)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C46H47Cl3N6O6S/c1-4-6-20-52(21-7-5-2)46(59)43-42(49)29(3)55(50-43)40-16-13-33(27-36(40)45(58)53-22-18-31-10-8-9-11-34(31)28-53)44(57)51-62(60,61)35-14-17-39-32(26-35)19-23-54(39)41(56)25-30-12-15-37(47)38(48)24-30/h8-17,24,26-27H,4-7,18-23,25,28H2,1-3H3,(H,51,57)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232447
PNG
(US9346795, 267)
Show SMILES CCCCN(CCCC)C(=O)c1cn(CCCN(C)C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C44H52N6O5S/c1-5-7-24-48(25-8-6-2)44(53)40-31-49(26-13-23-47(3)4)41(45-40)38-21-19-35(29-39(38)43(52)50-27-22-33-15-10-12-17-36(33)30-50)42(51)46-56(54,55)37-20-18-32-14-9-11-16-34(32)28-37/h9-12,14-21,28-29,31H,5-8,13,22-27,30H2,1-4H3,(H,46,51)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232382
PNG
(US9346795, 2)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2c(Cl)cccc2c1
Show InChI InChI=1S/C40H41Cl2N5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(42)26(3)47(43-37)35-18-15-29(24-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-16-17-32-28(23-31)13-10-14-34(32)41/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232409
PNG
(US9346795, 93)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H42ClN5O7S/c1-4-6-20-45(21-7-5-2)40(50)37-36(42)26(3)47(43-37)34-19-17-30(38(48)44-55(53,54)32-18-16-27-12-8-9-13-28(27)22-32)23-33(34)39(49)46-25-31-15-11-10-14-29(31)24-35(46)41(51)52/h8-19,22-23,35H,4-7,20-21,24-25H2,1-3H3,(H,44,48)(H,51,52)/t35-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232415
PNG
(US9346795, 127)
Show SMILES CCCCN(CCc1ccc(Cl)c(Cl)c1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C44H40Cl3N5O5S/c1-3-4-21-50(22-19-29-13-17-37(45)38(46)24-29)44(55)41-40(47)28(2)52(48-41)39-18-15-33(26-36(39)43(54)51-23-20-31-10-6-8-12-34(31)27-51)42(53)49-58(56,57)35-16-14-30-9-5-7-11-32(30)25-35/h5-18,24-26H,3-4,19-23,27H2,1-2H3,(H,49,53)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232422
PNG
(US9346795, 164)
Show SMILES CCCCN(CCCC)C(=O)c1nn(cc1C)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C40H43N5O5S/c1-4-6-21-43(22-7-5-2)40(48)37-28(3)26-45(41-37)36-19-17-32(25-35(36)39(47)44-23-20-30-13-9-11-15-33(30)27-44)38(46)42-51(49,50)34-18-16-29-12-8-10-14-31(29)24-34/h8-19,24-26H,4-7,20-23,27H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232400
PNG
(US9346795, 55)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CCCCC1
Show InChI InChI=1S/C45H53ClN6O6S/c1-4-6-23-49(24-7-5-2)45(56)41-40(46)30(3)52(47-41)39-19-17-34(28-37(39)44(55)50-25-21-31-13-11-12-16-35(31)29-50)42(53)48-59(57,58)36-18-20-38-33(27-36)22-26-51(38)43(54)32-14-9-8-10-15-32/h11-13,16-20,27-28,32H,4-10,14-15,21-26,29H2,1-3H3,(H,48,53)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232400
PNG
(US9346795, 55)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CCCCC1
Show InChI InChI=1S/C45H53ClN6O6S/c1-4-6-23-49(24-7-5-2)45(56)41-40(46)30(3)52(47-41)39-19-17-34(28-37(39)44(55)50-25-21-31-13-11-12-16-35(31)29-50)42(53)48-59(57,58)36-18-20-38-33(27-36)22-26-51(38)43(54)32-14-9-8-10-15-32/h11-13,16-20,27-28,32H,4-10,14-15,21-26,29H2,1-3H3,(H,48,53)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232426
PNG
(US9346795, 191)
Show SMILES CCCCN(CCCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H42ClN5O4S/c1-4-6-21-43(22-7-5-2)37-36(40)27(3)45(41-37)35-19-17-31(25-34(35)39(47)44-23-20-29-13-9-11-15-32(29)26-44)38(46)42-50(48,49)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25H,4-7,20-23,26H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232428
PNG
(US9346795, 195)
Show SMILES CCCN(CCC)c1nn(c(c1Cl)C(F)(F)F)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C38H36Cl2F3N5O5S/c1-3-16-46(17-4-2)35-33(40)34(38(41,42)43)48(44-35)32-15-13-25(19-30(32)37(51)47-21-26-9-6-5-8-24(26)18-27(47)22-49)36(50)45-54(52,53)28-14-12-23-10-7-11-31(39)29(23)20-28/h5-15,19-20,27,49H,3-4,16-18,21-22H2,1-2H3,(H,45,50)/t27-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232390
PNG
(US9346795, 34)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCOCC3)cc2c1
Show InChI InChI=1S/C47H55ClN6O7S/c1-4-6-21-52(22-7-5-2)47(57)44-43(48)33(3)54(49-44)42-18-15-36(31-41(42)46(56)53-23-19-34-11-8-9-12-37(34)32-53)45(55)50-62(58,59)40-17-14-35-13-16-39(29-38(35)30-40)61-26-10-20-51-24-27-60-28-25-51/h8-9,11-18,29-31H,4-7,10,19-28,32H2,1-3H3,(H,50,55)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232389
PNG
(US9346795, 32)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(OCCCN3CCOCC3)c2c1
Show InChI InChI=1S/C47H55ClN6O7S/c1-4-6-22-52(23-7-5-2)47(57)44-43(48)33(3)54(49-44)41-19-17-36(30-40(41)46(56)53-24-20-34-12-8-9-13-37(34)32-53)45(55)50-62(58,59)38-18-16-35-14-10-15-42(39(35)31-38)61-27-11-21-51-25-28-60-29-26-51/h8-10,12-19,30-31H,4-7,11,20-29,32H2,1-3H3,(H,50,55)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232404
PNG
(US9346795, 74)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C43H50ClN7O7S/c1-4-6-18-47(19-7-5-2)42(54)39-38(44)29(3)51(45-39)37-14-12-32(27-35(37)41(53)49-20-16-30-10-8-9-11-33(30)28-49)40(52)46-59(56,57)34-13-15-36-31(26-34)17-21-50(36)43(55)48-22-24-58-25-23-48/h8-15,26-27H,4-7,16-25,28H2,1-3H3,(H,46,52)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232405
PNG
(US9346795, 82)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2n(CCCN3CCOCC3)ccc2c1
Show InChI InChI=1S/C45H54ClN7O6S/c1-4-6-20-51(21-7-5-2)45(56)42-41(46)32(3)53(47-42)40-15-13-35(30-38(40)44(55)52-24-17-33-11-8-9-12-36(33)31-52)43(54)48-60(57,58)37-14-16-39-34(29-37)18-23-50(39)22-10-19-49-25-27-59-28-26-49/h8-9,11-16,18,23,29-30H,4-7,10,17,19-22,24-28,31H2,1-3H3,(H,48,54)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232446
PNG
(US9346795, 265)
Show SMILES CCCCN(CCCC)C(=O)c1cn(CC(=O)NC)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C42H46N6O6S/c1-4-6-21-46(22-7-5-2)42(52)37-27-48(28-38(49)43-3)39(44-37)35-19-17-32(25-36(35)41(51)47-23-20-30-13-9-11-15-33(30)26-47)40(50)45-55(53,54)34-18-16-29-12-8-10-14-31(29)24-34/h8-19,24-25,27H,4-7,20-23,26,28H2,1-3H3,(H,43,49)(H,45,50)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232411
PNG
(US9346795, 104)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2S(=O)(=O)C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H40ClN5O7S2/c1-4-6-20-43(21-7-5-2)39(48)36-35(40)26(3)45(41-36)33-19-17-29(37(46)42-54(51,52)31-18-16-27-12-8-9-13-28(27)22-31)23-32(33)38(47)44-24-30-14-10-11-15-34(30)53(49,50)25-44/h8-19,22-23H,4-7,20-21,24-25H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232392
PNG
(US9346795, 37)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OC(C)CN(C)C)cc2c1
Show InChI InChI=1S/C45H53ClN6O6S/c1-7-9-22-50(23-10-8-2)45(55)42-41(46)31(4)52(47-42)40-20-17-34(27-39(40)44(54)51-24-21-32-13-11-12-14-35(32)29-51)43(53)48-59(56,57)38-19-16-33-15-18-37(25-36(33)26-38)58-30(3)28-49(5)6/h11-20,25-27,30H,7-10,21-24,28-29H2,1-6H3,(H,48,53)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232429
PNG
(US9346795, 196)
Show SMILES CCCN(CCC)c1nn(c(c1Cl)C(F)(F)F)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1
Show InChI InChI=1S/C37H34Cl2F3N5O4S/c1-3-17-45(18-4-2)34-32(39)33(37(40,41)42)47(43-34)31-15-13-25(20-29(31)36(49)46-19-16-23-8-5-6-9-26(23)22-46)35(48)44-52(50,51)27-14-12-24-10-7-11-30(38)28(24)21-27/h5-15,20-21H,3-4,16-19,22H2,1-2H3,(H,44,48)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232391
PNG
(US9346795, 35)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCN(C)CC3)cc2c1
Show InChI InChI=1S/C48H58ClN7O6S/c1-5-7-22-54(23-8-6-2)48(59)45-44(49)34(3)56(50-45)43-19-16-37(32-42(43)47(58)55-24-20-35-12-9-10-13-38(35)33-55)46(57)51-63(60,61)41-18-15-36-14-17-40(30-39(36)31-41)62-29-11-21-53-27-25-52(4)26-28-53/h9-10,12-19,30-32H,5-8,11,20-29,33H2,1-4H3,(H,51,57)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232442
PNG
(US9346795, 239)
Show SMILES CCCCc1c(c(nn1-c1ccccc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC[Si](C)(C)C
Show InChI InChI=1S/C38H46N4O6SSi/c1-6-8-18-33-34(35(38(45)48-7-2)39-42(33)30-16-10-9-11-17-30)31-20-19-28(36(43)40-49(46,47)23-24-50(3,4)5)25-32(31)37(44)41-22-21-27-14-12-13-15-29(27)26-41/h9-17,19-20,25H,6-8,18,21-24,26H2,1-5H3,(H,40,43)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232451
PNG
(US9346795, 286)
Show SMILES CCCCN(CCCC)C(=O)c1cccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H42N4O5S/c1-3-5-23-44(24-6-4-2)41(48)38-17-11-16-37(42-38)35-21-19-32(27-36(35)40(47)45-25-22-30-13-8-10-15-33(30)28-45)39(46)43-51(49,50)34-20-18-29-12-7-9-14-31(29)26-34/h7-21,26-27H,3-6,22-25,28H2,1-2H3,(H,43,46)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232426
PNG
(US9346795, 191)
Show SMILES CCCCN(CCCC)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C39H42ClN5O4S/c1-4-6-21-43(22-7-5-2)37-36(40)27(3)45(41-37)35-19-17-31(25-34(35)39(47)44-23-20-29-13-9-11-15-32(29)26-44)38(46)42-50(48,49)33-18-16-28-12-8-10-14-30(28)24-33/h8-19,24-25H,4-7,20-23,26H2,1-3H3,(H,42,46)
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232393
PNG
(US9346795, 38)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(CNS(=O)(=O)c2ccc3ccc(OCCC4CCCN4C)cc3c2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C47H57ClN6O5S/c1-5-7-24-52(25-8-6-2)47(56)45-44(48)33(3)54(50-45)43-20-15-34(28-42(43)46(55)53-26-21-35-12-9-10-13-37(35)32-53)31-49-60(57,58)41-19-17-36-16-18-40(29-38(36)30-41)59-27-22-39-14-11-23-51(39)4/h9-10,12-13,15-20,28-30,39,49H,5-8,11,14,21-27,31-32H2,1-4H3
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Bristol-Myers Squibb Company

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Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232384
PNG
(US9346795, 8)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(C#N)c2c1
Show InChI InChI=1S/C41H41ClN6O5S/c1-4-6-20-46(21-7-5-2)41(51)38-37(42)27(3)48(44-38)36-18-16-30(23-35(36)40(50)47-22-19-28-11-8-9-12-32(28)26-47)39(49)45-54(52,53)33-17-15-29-13-10-14-31(25-43)34(29)24-33/h8-18,23-24H,4-7,19-22,26H2,1-3H3,(H,45,49)
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n/an/a 920n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232431
PNG
(US9346795, 200)
Show SMILES CCCCN(CCC(=O)NCCN1CCN(C)CC1)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1
Show InChI InChI=1S/C51H58Cl3N9O6S/c1-4-5-20-60(23-18-46(64)55-19-24-59-27-25-58(3)26-28-59)51(67)48-47(54)34(2)63(56-48)45-14-11-38(31-41(45)50(66)62-22-16-36-8-6-7-9-39(36)33-62)49(65)57-70(68,69)40-12-15-44-37(30-40)17-21-61(44)32-35-10-13-42(52)43(53)29-35/h6-15,29-31H,4-5,16-28,32-33H2,1-3H3,(H,55,64)(H,57,65)
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US Patent
n/an/a 1.01E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232394
PNG
(US9346795, 39)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN(C)C)cc2c1
Show InChI InChI=1S/C45H53ClN6O6S/c1-6-8-23-50(24-9-7-2)45(55)42-41(46)31(3)52(47-42)40-20-17-34(29-39(40)44(54)51-25-21-32-13-10-11-14-35(32)30-51)43(53)48-59(56,57)38-19-16-33-15-18-37(27-36(33)28-38)58-26-12-22-49(4)5/h10-11,13-20,27-29H,6-9,12,21-26,30H2,1-5H3,(H,48,53)
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US Patent
n/an/a 1.46E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232409
PNG
(US9346795, 93)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H42ClN5O7S/c1-4-6-20-45(21-7-5-2)40(50)37-36(42)26(3)47(43-37)34-19-17-30(38(48)44-55(53,54)32-18-16-27-12-8-9-13-28(27)22-32)23-33(34)39(49)46-25-31-15-11-10-14-29(31)24-35(46)41(51)52/h8-19,22-23,35H,4-7,20-21,24-25H2,1-3H3,(H,44,48)(H,51,52)/t35-/m1/s1
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US Patent
n/an/a 1.65E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232401
PNG
(US9346795, 64)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(CCc2c1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C46H47Cl3N6O6S/c1-4-6-20-52(21-7-5-2)46(59)43-42(49)29(3)55(50-43)40-16-13-33(27-36(40)45(58)53-22-18-31-10-8-9-11-34(31)28-53)44(57)51-62(60,61)35-14-17-39-32(26-35)19-23-54(39)41(56)25-30-12-15-37(47)38(48)24-30/h8-17,24,26-27H,4-7,18-23,25,28H2,1-3H3,(H,51,57)
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US Patent
n/an/a 2.45E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


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


(Homo sapiens)
BDBM232410
PNG
(US9346795, 100)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccc(cc2C1)C(O)=O)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H42ClN5O7S/c1-4-6-19-45(20-7-5-2)40(50)37-36(42)26(3)47(43-37)35-17-15-30(38(48)44-55(53,54)33-16-14-27-10-8-9-11-29(27)23-33)24-34(35)39(49)46-21-18-28-12-13-31(41(51)52)22-32(28)25-46/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)(H,51,52)
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US Patent
n/an/a 3.51E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232395
PNG
(US9346795, 40)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(OCCCN3CCCC3)cc2c1
Show InChI InChI=1S/C47H55ClN6O6S/c1-4-6-25-52(26-7-5-2)47(57)44-43(48)33(3)54(49-44)42-20-17-36(31-41(42)46(56)53-27-21-34-13-8-9-14-37(34)32-53)45(55)50-61(58,59)40-19-16-35-15-18-39(29-38(35)30-40)60-28-12-24-51-22-10-11-23-51/h8-9,13-20,29-31H,4-7,10-12,21-28,32H2,1-3H3,(H,50,55)
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n/an/a 3.78E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM232410
PNG
(US9346795, 100)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccc(cc2C1)C(O)=O)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C41H42ClN5O7S/c1-4-6-19-45(20-7-5-2)40(50)37-36(42)26(3)47(43-37)35-17-15-30(38(48)44-55(53,54)33-16-14-27-10-8-9-11-29(27)23-33)24-34(35)39(49)46-21-18-28-12-13-31(41(51)52)22-32(28)25-46/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)(H,51,52)
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n/an/a 4.71E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


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


(Homo sapiens)
BDBM232437
PNG
(US9346795, 214)
Show SMILES Cc1c(Cl)c(nn1-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1)C(=O)NCc1ccc(cc1)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C52H43Cl3N6O7S/c1-31-48(55)49(51(65)56-28-33-8-13-37(14-9-33)36-11-6-32(7-12-36)25-47(62)63)57-61(31)46-18-15-39(27-42(46)52(66)60-23-20-35-4-2-3-5-40(35)30-60)50(64)58-69(67,68)41-16-19-45-38(26-41)21-22-59(45)29-34-10-17-43(53)44(54)24-34/h2-19,24,26-27H,20-23,25,28-30H2,1H3,(H,56,65)(H,58,64)(H,62,63)
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n/an/a 8.07E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%