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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 7175   
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))
BDBM179558
PNG
(US9126980, 3)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)(=O)C(C)C)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C33H45N5O5S/c1-6-8-16-36(17-9-7-2)33(41)30-18-24(5)38(34-30)31-15-14-27(35-44(42,43)23(3)4)20-29(31)32(40)37-21-26-13-11-10-12-25(26)19-28(37)22-39/h10-15,18,20,23,28,35,39H,6-9,16-17,19,21-22H2,1-5H3/t28-/m0/s1
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n/an/a 90.4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179558
PNG
(US9126980, 3)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)(=O)C(C)C)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C33H45N5O5S/c1-6-8-16-36(17-9-7-2)33(41)30-18-24(5)38(34-30)31-15-14-27(35-44(42,43)23(3)4)20-29(31)32(40)37-21-26-13-11-10-12-25(26)19-28(37)22-39/h10-15,18,20,23,28,35,39H,6-9,16-17,19,21-22H2,1-5H3/t28-/m0/s1
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n/an/a 127n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179566
PNG
(US9126980, 11)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)CCN2C(=O)c3ccccc3C2=O)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C40H46N6O6S/c1-4-6-18-43(19-7-5-2)40(51)35-22-27(3)46(41-35)36-17-16-30(42-53(52)21-20-44-37(48)32-14-10-11-15-33(32)38(44)49)24-34(36)39(50)45-25-29-13-9-8-12-28(29)23-31(45)26-47/h8-17,22,24,31,42,47H,4-7,18-21,23,25-26H2,1-3H3/t31-,53?/m0/s1
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n/an/a 253n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179580
PNG
(US9126980, 25)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45ClN6O5S/c1-5-7-17-43(18-8-6-2)38(49)35-19-25(3)45(41-35)36-16-13-29(42-51(50)31-14-15-34(33(39)22-31)40-26(4)47)21-32(36)37(48)44-23-28-12-10-9-11-27(28)20-30(44)24-46/h9-16,19,21-22,30,42,46H,5-8,17-18,20,23-24H2,1-4H3,(H,40,47)/t30-,51?/m0/s1
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n/an/a 255n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179597
PNG
(US9126980, 42)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccccc2[NH3+])cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H44N6O4S/c1-4-6-18-40(19-7-5-2)36(45)32-20-25(3)42(38-32)33-17-16-28(39-47(46)34-15-11-10-14-31(34)37)22-30(33)35(44)41-23-27-13-9-8-12-26(27)21-29(41)24-43/h8-17,20,22,29,39,43H,4-7,18-19,21,23-24,37H2,1-3H3/p+1/t29-,47?/m0/s1
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n/an/a 255n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179590
PNG
(US9126980, 35)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cccc3nonc23)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H41N7O5S/c1-4-6-17-41(18-7-5-2)36(46)31-19-24(3)43(37-31)32-16-15-27(40-49(47)33-14-10-13-30-34(33)39-48-38-30)21-29(32)35(45)42-22-26-12-9-8-11-25(26)20-28(42)23-44/h8-16,19,21,28,40,44H,4-7,17-18,20,22-23H2,1-3H3/t28-,49?/m0/s1
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n/an/a 257n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179593
PNG
(US9126980, 38)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cc(F)c(Br)cc2F)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H40BrF2N5O4S/c1-4-6-14-42(15-7-5-2)36(47)32-16-23(3)44(40-32)33-13-12-26(41-49(48)34-20-30(38)29(37)19-31(34)39)18-28(33)35(46)43-21-25-11-9-8-10-24(25)17-27(43)22-45/h8-13,16,18-20,27,41,45H,4-7,14-15,17,21-22H2,1-3H3/t27-,49?/m0/s1
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n/an/a 269n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179597
PNG
(US9126980, 42)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccccc2[NH3+])cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H44N6O4S/c1-4-6-18-40(19-7-5-2)36(45)32-20-25(3)42(38-32)33-17-16-28(39-47(46)34-15-11-10-14-31(34)37)22-30(33)35(44)41-23-27-13-9-8-12-26(27)21-29(41)24-43/h8-17,20,22,29,39,43H,4-7,18-19,21,23-24,37H2,1-3H3/p+1/t29-,47?/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179590
PNG
(US9126980, 35)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cccc3nonc23)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H41N7O5S/c1-4-6-17-41(18-7-5-2)36(46)31-19-24(3)43(37-31)32-16-15-27(40-49(47)33-14-10-13-30-34(33)39-48-38-30)21-29(32)35(45)42-22-26-12-9-8-11-25(26)20-28(42)23-44/h8-16,19,21,28,40,44H,4-7,17-18,20,22-23H2,1-3H3/t28-,49?/m0/s1
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n/an/a 272n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179600
PNG
(US9126980, 45)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccsc2C(=O)OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H43N5O6S2/c1-5-7-16-39(17-8-6-2)35(44)30-19-24(3)41(37-30)31-14-13-27(38-49(46)32-15-18-48-33(32)36(45)47-4)21-29(31)34(43)40-22-26-12-10-9-11-25(26)20-28(40)23-42/h9-15,18-19,21,28,38,42H,5-8,16-17,20,22-23H2,1-4H3/t28-,49?/m0/s1
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n/an/a 293n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179557
PNG
(US9126980, 2)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(C)(=O)=O)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C31H41N5O5S/c1-5-7-15-34(16-8-6-2)31(39)28-17-22(3)36(32-28)29-14-13-25(33-42(4,40)41)19-27(29)30(38)35-20-24-12-10-9-11-23(24)18-26(35)21-37/h9-14,17,19,26,33,37H,5-8,15-16,18,20-21H2,1-4H3/t26-/m0/s1
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n/an/a 295n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179566
PNG
(US9126980, 11)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)CCN2C(=O)c3ccccc3C2=O)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C40H46N6O6S/c1-4-6-18-43(19-7-5-2)40(51)35-22-27(3)46(41-35)36-17-16-30(42-53(52)21-20-44-37(48)32-14-10-11-15-33(32)38(44)49)24-34(36)39(50)45-25-29-13-9-8-12-28(29)23-31(45)26-47/h8-17,22,24,31,42,47H,4-7,18-21,23,25-26H2,1-3H3/t31-,53?/m0/s1
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n/an/a 296n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179583
PNG
(US9126980, 28)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccccc2C(=O)OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45N5O6S/c1-5-7-19-41(20-8-6-2)37(46)33-21-26(3)43(39-33)34-18-17-29(40-50(48)35-16-12-11-15-31(35)38(47)49-4)23-32(34)36(45)42-24-28-14-10-9-13-27(28)22-30(42)25-44/h9-18,21,23,30,40,44H,5-8,19-20,22,24-25H2,1-4H3/t30-,50?/m0/s1
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n/an/a 311n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179582
PNG
(US9126980, 27)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccccc2F)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H42FN5O4S/c1-4-6-18-40(19-7-5-2)36(45)32-20-25(3)42(38-32)33-17-16-28(39-47(46)34-15-11-10-14-31(34)37)22-30(33)35(44)41-23-27-13-9-8-12-26(27)21-29(41)24-43/h8-17,20,22,29,39,43H,4-7,18-19,21,23-24H2,1-3H3/t29-,47?/m0/s1
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n/an/a 315n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179593
PNG
(US9126980, 38)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cc(F)c(Br)cc2F)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H40BrF2N5O4S/c1-4-6-14-42(15-7-5-2)36(47)32-16-23(3)44(40-32)33-13-12-26(41-49(48)34-20-30(38)29(37)19-31(34)39)18-28(33)35(46)43-21-25-11-9-8-10-24(25)17-27(43)22-45/h8-13,16,18-20,27,41,45H,4-7,14-15,17,21-22H2,1-3H3/t27-,49?/m0/s1
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n/an/a 328n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179581
PNG
(US9126980, 26)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cccc(Cl)c2Cl)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H41Cl2N5O4S/c1-4-6-17-41(18-7-5-2)36(46)31-19-24(3)43(39-31)32-16-15-27(40-48(47)33-14-10-13-30(37)34(33)38)21-29(32)35(45)42-22-26-12-9-8-11-25(26)20-28(42)23-44/h8-16,19,21,28,40,44H,4-7,17-18,20,22-23H2,1-3H3/t28-,48?/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179557
PNG
(US9126980, 2)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(C)(=O)=O)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C31H41N5O5S/c1-5-7-15-34(16-8-6-2)31(39)28-17-22(3)36(32-28)29-14-13-25(33-42(4,40)41)19-27(29)30(38)35-20-24-12-10-9-11-23(24)18-26(35)21-37/h9-14,17,19,26,33,37H,5-8,15-16,18,20-21H2,1-4H3/t26-/m0/s1
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n/an/a 377n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179560
PNG
(US9126980, 5)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(cc2)C(C)=O)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45N5O5S/c1-5-7-19-41(20-8-6-2)38(47)35-21-26(3)43(39-35)36-18-15-31(40-49(48)33-16-13-28(14-17-33)27(4)45)23-34(36)37(46)42-24-30-12-10-9-11-29(30)22-32(42)25-44/h9-18,21,23,32,40,44H,5-8,19-20,22,24-25H2,1-4H3/t32-,49?/m0/s1
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n/an/a 412n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179580
PNG
(US9126980, 25)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45ClN6O5S/c1-5-7-17-43(18-8-6-2)38(49)35-19-25(3)45(41-35)36-16-13-29(42-51(50)31-14-15-34(33(39)22-31)40-26(4)47)21-32(36)37(48)44-23-28-12-10-9-11-27(28)20-30(44)24-46/h9-16,19,21-22,30,42,46H,5-8,17-18,20,23-24H2,1-4H3,(H,40,47)/t30-,51?/m0/s1
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n/an/a 427n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179583
PNG
(US9126980, 28)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccccc2C(=O)OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45N5O6S/c1-5-7-19-41(20-8-6-2)37(46)33-21-26(3)43(39-33)34-18-17-29(40-50(48)35-16-12-11-15-31(35)38(47)49-4)23-32(34)36(45)42-24-28-14-10-9-13-27(28)22-30(42)25-44/h9-18,21,23,30,40,44H,5-8,19-20,22,24-25H2,1-4H3/t30-,50?/m0/s1
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n/an/a 448n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179582
PNG
(US9126980, 27)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccccc2F)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H42FN5O4S/c1-4-6-18-40(19-7-5-2)36(45)32-20-25(3)42(38-32)33-17-16-28(39-47(46)34-15-11-10-14-31(34)37)22-30(33)35(44)41-23-27-13-9-8-12-26(27)21-29(41)24-43/h8-17,20,22,29,39,43H,4-7,18-19,21,23-24H2,1-3H3/t29-,47?/m0/s1
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n/an/a 454n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179573
PNG
(US9126980, 18)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(o2)C(=O)OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H43N5O7S/c1-5-7-17-39(18-8-6-2)35(44)30-19-24(3)41(37-30)31-14-13-27(38-49(46)33-16-15-32(48-33)36(45)47-4)21-29(31)34(43)40-22-26-12-10-9-11-25(26)20-28(40)23-42/h9-16,19,21,28,38,42H,5-8,17-18,20,22-23H2,1-4H3/t28-,49?/m0/s1
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n/an/a 457n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179561
PNG
(US9126980, 6)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2sc(Cl)cc2Br)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C34H39BrClN5O4S2/c1-4-6-14-39(15-7-5-2)33(44)29-16-22(3)41(37-29)30-13-12-25(38-47(45)34-28(35)19-31(36)46-34)18-27(30)32(43)40-20-24-11-9-8-10-23(24)17-26(40)21-42/h8-13,16,18-19,26,38,42H,4-7,14-15,17,20-21H2,1-3H3/t26-,47?/m0/s1
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n/an/a 465n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179579
PNG
(US9126980, 24)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2c(C)nn(C)c2C)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H47N7O4S/c1-7-9-17-41(18-10-8-2)36(46)32-19-24(3)43(38-32)33-16-15-29(39-48(47)34-25(4)37-40(6)26(34)5)21-31(33)35(45)42-22-28-14-12-11-13-27(28)20-30(42)23-44/h11-16,19,21,30,39,44H,7-10,17-18,20,22-23H2,1-6H3/t30-,48?/m0/s1
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n/an/a 466n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179562
PNG
(US9126980, 7)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(Br)c(Br)c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H41Br2N5O4S/c1-4-6-16-41(17-7-5-2)36(46)33-18-24(3)43(39-33)34-15-12-27(40-48(47)29-13-14-31(37)32(38)21-29)20-30(34)35(45)42-22-26-11-9-8-10-25(26)19-28(42)23-44/h8-15,18,20-21,28,40,44H,4-7,16-17,19,22-23H2,1-3H3/t28-,48?/m0/s1
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n/an/a 474n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179601
PNG
(US9126980, 46)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)Cc2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H45N5O4S/c1-4-6-19-40(20-7-5-2)37(45)34-21-27(3)42(38-34)35-18-17-31(39-47(46)26-28-13-9-8-10-14-28)23-33(35)36(44)41-24-30-16-12-11-15-29(30)22-32(41)25-43/h8-18,21,23,32,39,43H,4-7,19-20,22,24-26H2,1-3H3/t32-,47?/m0/s1
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n/an/a 475n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179571
PNG
(US9126980, 16)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cn(C)cn2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C34H43N7O4S/c1-5-7-15-39(16-8-6-2)34(44)30-17-24(3)41(36-30)31-14-13-27(37-46(45)32-21-38(4)23-35-32)19-29(31)33(43)40-20-26-12-10-9-11-25(26)18-28(40)22-42/h9-14,17,19,21,23,28,37,42H,5-8,15-16,18,20,22H2,1-4H3/t28-,46?/m0/s1
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n/an/a 475n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179600
PNG
(US9126980, 45)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccsc2C(=O)OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H43N5O6S2/c1-5-7-16-39(17-8-6-2)35(44)30-19-24(3)41(37-30)31-14-13-27(38-49(46)32-15-18-48-33(32)36(45)47-4)21-29(31)34(43)40-22-26-12-10-9-11-25(26)20-28(40)23-42/h9-15,18-19,21,28,38,42H,5-8,16-17,20,22-23H2,1-4H3/t28-,49?/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179581
PNG
(US9126980, 26)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cccc(Cl)c2Cl)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H41Cl2N5O4S/c1-4-6-17-41(18-7-5-2)36(46)31-19-24(3)43(39-31)32-16-15-27(40-48(47)33-14-10-13-30(37)34(33)38)21-29(32)35(45)42-22-26-12-9-8-11-25(26)20-28(42)23-44/h8-16,19,21,28,40,44H,4-7,17-18,20,22-23H2,1-3H3/t28-,48?/m0/s1
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n/an/a 494n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179587
PNG
(US9126980, 32)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc3OCCOc3c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45N5O6S/c1-4-6-16-41(17-7-5-2)38(46)33-20-26(3)43(39-33)34-14-12-29(40-50(47)31-13-15-35-36(23-31)49-19-18-48-35)22-32(34)37(45)42-24-28-11-9-8-10-27(28)21-30(42)25-44/h8-15,20,22-23,30,40,44H,4-7,16-19,21,24-25H2,1-3H3/t30-,50?/m0/s1
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n/an/a 512n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179556
PNG
(US9126980, 1)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H43N5O5S/c1-4-6-19-39(20-7-5-2)36(44)33-21-26(3)41(37-33)34-18-17-29(38-47(45,46)31-15-9-8-10-16-31)23-32(34)35(43)40-24-28-14-12-11-13-27(28)22-30(40)25-42/h8-18,21,23,30,38,42H,4-7,19-20,22,24-25H2,1-3H3/t30-/m0/s1
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n/an/a 519n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179599
PNG
(US9126980, 44)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(cc2)-c2cnco2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C39H44N6O5S/c1-4-6-18-43(19-7-5-2)39(48)35-20-27(3)45(41-35)36-17-14-31(42-51(49)33-15-12-28(13-16-33)37-23-40-26-50-37)22-34(36)38(47)44-24-30-11-9-8-10-29(30)21-32(44)25-46/h8-17,20,22-23,26,32,42,46H,4-7,18-19,21,24-25H2,1-3H3/t32-,51?/m0/s1
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n/an/a 522n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179584
PNG
(US9126980, 29)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)CCc2cccc3ccccc23)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C42H49N5O4S/c1-4-6-22-45(23-7-5-2)42(50)39-25-30(3)47(43-39)40-20-19-35(44-52(51)24-21-32-17-12-16-31-13-10-11-18-37(31)32)27-38(40)41(49)46-28-34-15-9-8-14-33(34)26-36(46)29-48/h8-20,25,27,36,44,48H,4-7,21-24,26,28-29H2,1-3H3/t36-,52?/m0/s1
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n/an/a 529n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179596
PNG
(US9126980, 41)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cc([NH3+])ccc2C)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H46N6O4S/c1-5-7-17-41(18-8-6-2)37(46)33-19-26(4)43(39-33)34-16-15-30(40-48(47)35-21-29(38)14-13-25(35)3)22-32(34)36(45)42-23-28-12-10-9-11-27(28)20-31(42)24-44/h9-16,19,21-22,31,40,44H,5-8,17-18,20,23-24,38H2,1-4H3/p+1/t31-,48?/m0/s1
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n/an/a 531n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179569
PNG
(US9126980, 14)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccccc2Cl)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H42ClN5O4S/c1-4-6-18-40(19-7-5-2)36(45)32-20-25(3)42(38-32)33-17-16-28(39-47(46)34-15-11-10-14-31(34)37)22-30(33)35(44)41-23-27-13-9-8-12-26(27)21-29(41)24-43/h8-17,20,22,29,39,43H,4-7,18-19,21,23-24H2,1-3H3/t29-,47?/m0/s1
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n/an/a 559n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179595
PNG
(US9126980, 40)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cccc(c2)C#N)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H42N6O4S/c1-4-6-17-41(18-7-5-2)37(46)34-19-26(3)43(39-34)35-16-15-30(40-48(47)32-14-10-11-27(20-32)23-38)22-33(35)36(45)42-24-29-13-9-8-12-28(29)21-31(42)25-44/h8-16,19-20,22,31,40,44H,4-7,17-18,21,24-25H2,1-3H3/t31-,48?/m0/s1
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n/an/a 562n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179561
PNG
(US9126980, 6)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2sc(Cl)cc2Br)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C34H39BrClN5O4S2/c1-4-6-14-39(15-7-5-2)33(44)29-16-22(3)41(37-29)30-13-12-25(38-47(45)34-28(35)19-31(36)46-34)18-27(30)32(43)40-20-24-11-9-8-10-23(24)17-26(40)21-42/h8-13,16,18-19,26,38,42H,4-7,14-15,17,20-21H2,1-3H3/t26-,47?/m0/s1
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n/an/a 563n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179594
PNG
(US9126980, 39)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2scc(C(=O)OC)c2OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H45N5O7S2/c1-6-8-16-40(17-9-7-2)35(45)31-18-24(3)42(38-31)32-15-14-27(39-51(47)37-33(48-4)30(23-50-37)36(46)49-5)20-29(32)34(44)41-21-26-13-11-10-12-25(26)19-28(41)22-43/h10-15,18,20,23,28,39,43H,6-9,16-17,19,21-22H2,1-5H3/t28-,51?/m0/s1
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n/an/a 566n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179573
PNG
(US9126980, 18)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(o2)C(=O)OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H43N5O7S/c1-5-7-17-39(18-8-6-2)35(44)30-19-24(3)41(37-30)31-14-13-27(38-49(46)33-16-15-32(48-33)36(45)47-4)21-29(31)34(43)40-22-26-12-10-9-11-25(26)20-28(40)23-42/h9-16,19,21,28,38,42H,5-8,17-18,20,22-23H2,1-4H3/t28-,49?/m0/s1
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n/an/a 585n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179560
PNG
(US9126980, 5)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(cc2)C(C)=O)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45N5O5S/c1-5-7-19-41(20-8-6-2)38(47)35-21-26(3)43(39-35)36-18-15-31(40-49(48)33-16-13-28(14-17-33)27(4)45)23-34(36)37(46)42-24-30-12-10-9-11-29(30)22-32(42)25-44/h9-18,21,23,32,40,44H,5-8,19-20,22,24-25H2,1-4H3/t32-,49?/m0/s1
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n/an/a 609n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179587
PNG
(US9126980, 32)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc3OCCOc3c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C38H45N5O6S/c1-4-6-16-41(17-7-5-2)38(46)33-20-26(3)43(39-33)34-14-12-29(40-50(47)31-13-15-35-36(23-31)49-19-18-48-35)22-32(34)37(45)42-24-28-11-9-8-10-27(28)21-30(42)25-44/h8-15,20,22-23,30,40,44H,4-7,16-19,21,24-25H2,1-3H3/t30-,50?/m0/s1
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n/an/a 631n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179594
PNG
(US9126980, 39)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2scc(C(=O)OC)c2OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H45N5O7S2/c1-6-8-16-40(17-9-7-2)35(45)31-18-24(3)42(38-31)32-15-14-27(39-51(47)37-33(48-4)30(23-50-37)36(46)49-5)20-29(32)34(44)41-21-26-13-11-10-12-25(26)19-28(41)22-43/h10-15,18,20,23,28,39,43H,6-9,16-17,19,21-22H2,1-5H3/t28-,51?/m0/s1
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n/an/a 632n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179562
PNG
(US9126980, 7)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(Br)c(Br)c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H41Br2N5O4S/c1-4-6-16-41(17-7-5-2)36(46)33-18-24(3)43(39-33)34-15-12-27(40-48(47)29-13-14-31(37)32(38)21-29)20-30(34)35(45)42-22-26-11-9-8-10-25(26)19-28(42)23-44/h8-15,18,20-21,28,40,44H,4-7,16-17,19,22-23H2,1-3H3/t28-,48?/m0/s1
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n/an/a 638n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179571
PNG
(US9126980, 16)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cn(C)cn2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C34H43N7O4S/c1-5-7-15-39(16-8-6-2)34(44)30-17-24(3)41(36-30)31-14-13-27(37-46(45)32-21-38(4)23-35-32)19-29(31)33(43)40-20-26-12-10-9-11-25(26)18-28(40)22-42/h9-14,17,19,21,23,28,37,42H,5-8,15-16,18,20,22H2,1-4H3/t28-,46?/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179589
PNG
(US9126980, 34)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2ccc(cc2)-c2noc(C)n2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C39H45N7O5S/c1-5-7-19-44(20-8-6-2)39(49)35-21-26(3)46(41-35)36-18-15-31(43-52(50)33-16-13-28(14-17-33)37-40-27(4)51-42-37)23-34(36)38(48)45-24-30-12-10-9-11-29(30)22-32(45)25-47/h9-18,21,23,32,43,47H,5-8,19-20,22,24-25H2,1-4H3/t32-,52?/m0/s1
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n/an/a 641n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179579
PNG
(US9126980, 24)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2c(C)nn(C)c2C)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C36H47N7O4S/c1-7-9-17-41(18-10-8-2)36(46)32-19-24(3)43(38-32)33-16-15-29(39-48(47)34-25(4)37-40(6)26(34)5)21-31(33)35(45)42-22-28-14-12-11-13-27(28)20-30(42)23-44/h11-16,19,21,30,39,44H,7-10,17-18,20,22-23H2,1-6H3/t30-,48?/m0/s1
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n/an/a 652n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179596
PNG
(US9126980, 41)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cc([NH3+])ccc2C)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H46N6O4S/c1-5-7-17-41(18-8-6-2)37(46)33-19-26(4)43(39-33)34-16-15-30(40-48(47)35-21-29(38)14-13-25(35)3)22-32(34)36(45)42-23-28-12-10-9-11-27(28)20-31(42)24-44/h9-16,19,21-22,31,40,44H,5-8,17-18,20,23-24,38H2,1-4H3/p+1/t31-,48?/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179563
PNG
(US9126980, 8)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2c(C)onc2-c2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C40H46N6O5S/c1-5-7-20-44(21-8-6-2)40(49)35-22-27(3)46(41-35)36-19-18-32(43-52(50)38-28(4)51-42-37(38)29-14-10-9-11-15-29)24-34(36)39(48)45-25-31-17-13-12-16-30(31)23-33(45)26-47/h9-19,22,24,33,43,47H,5-8,20-21,23,25-26H2,1-4H3/t33-,52?/m0/s1
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n/an/a 664n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179601
PNG
(US9126980, 46)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)Cc2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H45N5O4S/c1-4-6-19-40(20-7-5-2)37(45)34-21-27(3)42(38-34)35-18-17-31(39-47(46)26-28-13-9-8-10-14-28)23-33(35)36(44)41-24-30-16-12-11-15-29(30)22-32(41)25-43/h8-18,21,23,32,39,43H,4-7,19-20,22,24-26H2,1-3H3/t32-,47?/m0/s1
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n/an/a 666n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM179595
PNG
(US9126980, 40)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2cccc(c2)C#N)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C37H42N6O4S/c1-4-6-17-41(18-7-5-2)37(46)34-19-26(3)43(39-34)35-16-15-30(40-48(47)32-14-10-11-27(20-32)23-38)22-33(35)36(45)42-24-29-13-9-8-12-28(29)21-31(42)25-44/h8-16,19-20,22,31,40,44H,4-7,17-18,21,24-25H2,1-3H3/t31-,48?/m0/s1
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n/an/a 673n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...


US Patent US9126980 (2015)


BindingDB Entry DOI: 10.7270/Q2S18184
More data for this
Ligand-Target Pair
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