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Patent code US9120791

Compile Data Set for Download or QSAR
Found 119 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


(Mus musculus (Mouse))		BDBM177831
PNG
(US9120791, Example 50 | US9120791, Example 94 | US...)
Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H44N6O6/c1-47-39-14-11-33(21-31(39)25-46-47)51(32-9-12-35(52)13-10-32)45(54)38-22-41(49-15-5-4-8-40(38)49)36-23-42-43(57-28-56-42)24-37(36)44(53)50-26-30-7-3-2-6-29(30)20-34(50)27-48-16-18-55-19-17-48/h2-3,6-7,9-14,21-25,34,52H,4-5,8,15-20,26-28H2,1H3/t34-/m0/s1
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n/an/a 3n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177875
PNG
(US9120791, Example 101 | US9603854, 101)
Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccc(O)cc1
Show InChI InChI=1S/C43H41ClN6O5/c1-46-39-13-9-33(21-30(39)24-45-46)50(32-7-10-35(51)11-8-32)43(53)38-23-40(48-16-19-55-27-41(38)48)37-22-31(44)6-12-36(37)42(52)49-25-29-5-3-2-4-28(29)20-34(49)26-47-14-17-54-18-15-47/h2-13,21-24,34,51H,14-20,25-27H2,1H3/t34-/m0/s1
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n/an/a 5n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177867
PNG
(US9120791, Example 92 | US9603854, 92)
Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccc(O)cc1
Show InChI InChI=1S/C43H41FN4O7/c1-27-6-7-31(19-37(27)44)48(30-8-10-33(49)11-9-30)43(51)36-20-38(46-14-17-53-25-39(36)46)34-21-40-41(55-26-54-40)22-35(34)42(50)47-23-29-5-3-2-4-28(29)18-32(47)24-45-12-15-52-16-13-45/h2-11,19-22,32,49H,12-18,23-26H2,1H3/t32-/m0/s1
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n/an/a 5n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177876
PNG
(US9120791, Example 103 | US9603854, 103)
Show SMILES Cn1ccc2cc(cnc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H43ClN6O4/c1-47-17-15-30-23-34(26-46-42(30)47)51(33-10-12-36(52)13-11-33)44(54)39-25-41(49-16-5-4-8-40(39)49)38-24-32(45)9-14-37(38)43(53)50-27-31-7-3-2-6-29(31)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-15,17,23-26,35,52H,4-5,8,16,18-22,27-28H2,1H3/t35-/m0/s1
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n/an/a 6n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177902
PNG
(US9120791, Example 135 | US9603854, 135)
Show SMILES Cn1cc(cn1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C40H41ClN6O4/c1-43-25-32(23-42-43)47(30-10-12-33(48)13-11-30)40(50)36-22-38(45-15-5-4-8-37(36)45)35-21-29(41)9-14-34(35)39(49)46-24-28-7-3-2-6-27(28)20-31(46)26-44-16-18-51-19-17-44/h2-3,6-7,9-14,21-23,25,31,48H,4-5,8,15-20,24,26H2,1H3/t31-/m0/s1
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n/an/a 6n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177869
PNG
(US9120791, Example 95 | US9603854, 95)
Show SMILES Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C46H47N5O4/c1-31-10-16-39(45(53)50-29-34-8-4-3-7-32(34)26-37(50)30-48-21-23-55-24-22-48)40(25-31)44-28-41(43-9-5-6-19-49(43)44)46(54)51(35-11-14-38(52)15-12-35)36-13-17-42-33(27-36)18-20-47(42)2/h3-4,7-8,10-18,20,25,27-28,37,52H,5-6,9,19,21-24,26,29-30H2,1-2H3/t37-/m0/s1
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n/an/a 6n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177877
PNG
(US9120791, Example 104 | US9603854, 104)
Show SMILES COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ncc3c2)c2CCCCn12
Show InChI InChI=1S/C45H46N6O5/c1-47-41-17-12-34(24-32(41)27-46-47)51(33-10-13-36(52)14-11-33)45(54)40-26-43(49-18-6-5-9-42(40)49)39-25-37(55-2)15-16-38(39)44(53)50-28-31-8-4-3-7-30(31)23-35(50)29-48-19-21-56-22-20-48/h3-4,7-8,10-17,24-27,35,52H,5-6,9,18-23,28-29H2,1-2H3/t35-/m0/s1
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n/an/a 7n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177879
PNG
(US9120791, Example 107 | US9603854, 107)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3CCCCn23)CC1=O
Show InChI InChI=1S/C46H45ClN6O4/c1-48-20-18-31-24-35(13-17-41(31)48)53(34-11-14-37(54)15-12-34)46(57)40-26-43(51-19-6-5-9-42(40)51)39-25-33(47)10-16-38(39)45(56)52-27-32-8-4-3-7-30(32)23-36(52)28-50-22-21-49(2)44(55)29-50/h3-4,7-8,10-18,20,24-26,36,54H,5-6,9,19,21-23,27-29H2,1-2H3/t36-/m0/s1
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n/an/a 7n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177886
PNG
(US9120791, Example 115 | US9603854, 115)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1F
Show InChI InChI=1S/C42H40ClFN4O4/c43-30-12-17-34(41(50)47-26-29-8-2-1-7-28(29)23-32(47)27-45-19-21-52-22-20-45)35(24-30)40-25-36(38-10-5-6-18-46(38)40)42(51)48(31-13-15-33(49)16-14-31)39-11-4-3-9-37(39)44/h1-4,7-9,11-17,24-25,32,49H,5-6,10,18-23,26-27H2/t32-/m0/s1
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n/an/a 8n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177866
PNG
(US9120791, Example 91 | US9603854, 91)
Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C43H42F2N4O4/c1-28-9-11-33(24-39(28)45)49(32-12-14-35(50)15-13-32)43(52)38-25-41(47-17-5-4-8-40(38)47)37-23-31(44)10-16-36(37)42(51)48-26-30-7-3-2-6-29(30)22-34(48)27-46-18-20-53-21-19-46/h2-3,6-7,9-16,23-25,34,50H,4-5,8,17-22,26-27H2,1H3/t34-/m0/s1
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n/an/a 8n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177899
PNG
(US9120791, Example 129 | US9603854, 129)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(cc1)C#N
Show InChI InChI=1S/C43H40ClN5O4/c44-32-10-17-37(42(51)48-27-31-6-2-1-5-30(31)23-35(48)28-46-19-21-53-22-20-46)38(24-32)41-25-39(40-7-3-4-18-47(40)41)43(52)49(34-13-15-36(50)16-14-34)33-11-8-29(26-45)9-12-33/h1-2,5-6,8-17,24-25,35,50H,3-4,7,18-23,27-28H2/t35-/m0/s1
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n/an/a 9n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177880
PNG
(US9120791, Example 108 | US9603854, 108)
Show SMILES COCCN(C)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C45H46ClN5O4/c1-47(22-23-55-3)29-36-24-30-8-4-5-9-32(30)28-50(36)44(53)38-17-11-33(46)26-39(38)43-27-40(42-10-6-7-20-49(42)43)45(54)51(34-12-15-37(52)16-13-34)35-14-18-41-31(25-35)19-21-48(41)2/h4-5,8-9,11-19,21,25-27,36,52H,6-7,10,20,22-24,28-29H2,1-3H3/t36-/m0/s1
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n/an/a 9n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177890
PNG
(US9120791, Example 119 | US9603854, 119)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1cccc(c1)C#N
Show InChI InChI=1S/C43H40ClN5O4/c44-32-11-16-37(42(51)48-27-31-8-2-1-7-30(31)23-35(48)28-46-18-20-53-21-19-46)38(24-32)41-25-39(40-10-3-4-17-47(40)41)43(52)49(33-12-14-36(50)15-13-33)34-9-5-6-29(22-34)26-45/h1-2,5-9,11-16,22,24-25,35,50H,3-4,10,17-21,23,27-28H2/t35-/m0/s1
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n/an/a 9n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177883
PNG
(US9120791, Example 112 | US9603854, 112)
Show SMILES COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccccc2)c2ccc(O)cc2)c2CCCCn12
Show InChI InChI=1S/C43H44N4O5/c1-51-36-18-19-37(42(49)46-28-31-10-6-5-9-30(31)25-34(46)29-44-21-23-52-24-22-44)38(26-36)41-27-39(40-13-7-8-20-45(40)41)43(50)47(32-11-3-2-4-12-32)33-14-16-35(48)17-15-33/h2-6,9-12,14-19,26-27,34,48H,7-8,13,20-25,28-29H2,1H3/t34-/m0/s1
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n/an/a 9n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177885
PNG
(US9120791, Example 114 | US9603854, 114)
Show SMILES COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc(C)c(F)c2)c2CCCCn12
Show InChI InChI=1S/C44H45FN4O5/c1-29-10-11-33(24-40(29)45)49(32-12-14-35(50)15-13-32)44(52)39-26-42(47-18-6-5-9-41(39)47)38-25-36(53-2)16-17-37(38)43(51)48-27-31-8-4-3-7-30(31)23-34(48)28-46-19-21-54-22-20-46/h3-4,7-8,10-17,24-26,34,50H,5-6,9,18-23,27-28H2,1-2H3/t34-/m0/s1
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n/an/a 9n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177878
PNG
(US9120791, Example 105 | US9603854, 105)
Show SMILES COCCN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccccc3)c3ccc(O)cc3)c3CCCCn23)CC1
Show InChI InChI=1S/C46H49N5O6/c1-55-24-23-47-19-21-48(22-20-47)30-36-25-32-9-5-6-10-33(32)29-50(36)45(53)39-28-44-43(56-31-57-44)27-38(39)42-26-40(41-13-7-8-18-49(41)42)46(54)51(34-11-3-2-4-12-34)35-14-16-37(52)17-15-35/h2-6,9-12,14-17,26-28,36,52H,7-8,13,18-25,29-31H2,1H3/t36-/m0/s1
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n/an/a 10n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177887
PNG
(US9120791, Example 116 | US9603854, 116)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1cccc(F)c1
Show InChI InChI=1S/C42H40ClFN4O4/c43-30-11-16-36(41(50)47-26-29-7-2-1-6-28(29)22-34(47)27-45-18-20-52-21-19-45)37(23-30)40-25-38(39-10-3-4-17-46(39)40)42(51)48(32-12-14-35(49)15-13-32)33-9-5-8-31(44)24-33/h1-2,5-9,11-16,23-25,34,49H,3-4,10,17-22,26-27H2/t34-/m0/s1
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n/an/a 10n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177898
PNG
(US9120791, Example 128 | US9603854, 128)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccccc3)c3ccc(O)cc3)c3CCCCn23)CC1=O
Show InChI InChI=1S/C44H43N5O6/c1-45-19-20-46(27-42(45)51)26-33-21-29-9-5-6-10-30(29)25-48(33)43(52)36-24-41-40(54-28-55-41)23-35(36)39-22-37(38-13-7-8-18-47(38)39)44(53)49(31-11-3-2-4-12-31)32-14-16-34(50)17-15-32/h2-6,9-12,14-17,22-24,33,50H,7-8,13,18-21,25-28H2,1H3/t33-/m0/s1
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n/an/a 10n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177870
PNG
(US9120791, Example 96 | US9603854, 96)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H43N5O6/c1-46-16-14-30-22-33(10-13-39(30)46)50(32-8-11-35(51)12-9-32)45(53)38-23-41(48-15-4-7-40(38)48)36-24-42-43(56-28-55-42)25-37(36)44(52)49-26-31-6-3-2-5-29(31)21-34(49)27-47-17-19-54-20-18-47/h2-3,5-6,8-14,16,22-25,34,51H,4,7,15,17-21,26-28H2,1H3/t34-/m0/s1
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n/an/a 11n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177795
PNG
(US9120791, Example 13)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3CCCCn23)CC1
Show InChI InChI=1S/C47H48N6O5/c1-48-19-21-50(22-20-48)29-36-23-31-7-3-4-8-33(31)28-52(36)46(55)39-27-45-44(57-30-58-45)26-38(39)43-25-40(42-9-5-6-17-51(42)43)47(56)53(34-10-13-37(54)14-11-34)35-12-15-41-32(24-35)16-18-49(41)2/h3-4,7-8,10-16,18,24-27,36,54H,5-6,9,17,19-23,28-30H2,1-2H3/t36-/m0/s1
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n/an/a 12n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177872
PNG
(US9120791, Example 98 | US9603854, 98)
Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccc(O)cc1
Show InChI InChI=1S/C42H40F2N4O5/c1-27-6-8-32(22-38(27)44)48(31-9-11-34(49)12-10-31)42(51)37-23-39(46-16-19-53-26-40(37)46)36-21-30(43)7-13-35(36)41(50)47-24-29-5-3-2-4-28(29)20-33(47)25-45-14-17-52-18-15-45/h2-13,21-23,33,49H,14-20,24-26H2,1H3/t33-/m0/s1
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n/an/a 12n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177838
PNG
(US9120791, Example 57)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc3OCOc3c2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3ccccn23)CC1 |wU:6.5,(9.68,5.43,;10.45,6.76,;11.98,6.6,;12.89,7.84,;12.26,9.25,;13.17,10.5,;14.7,10.34,;15.32,8.93,;16.86,8.77,;17.48,7.36,;19.01,7.2,;19.92,8.45,;19.29,9.85,;17.76,10.01,;17.14,11.42,;15.6,11.58,;14.98,12.99,;13.45,13.15,;15.88,14.24,;17.41,14.07,;18.32,15.32,;17.69,16.73,;18.46,18.06,;17.1,19.15,;15.76,18.38,;16.16,16.89,;15.26,15.64,;13.72,15.8,;12.69,14.66,;11.29,15.28,;9.95,14.51,;9.95,12.97,;8.62,15.28,;8.62,16.82,;7.29,17.59,;7.29,19.13,;8.62,19.9,;8.62,21.44,;9.95,19.13,;9.95,17.59,;7.29,14.51,;7.29,12.97,;5.95,12.2,;4.62,12.97,;3.15,12.5,;2.68,11.03,;2.25,13.74,;3.15,14.99,;4.62,14.51,;5.95,15.28,;11.45,16.82,;10.42,17.96,;10.89,19.43,;12.4,19.75,;13.43,18.6,;12.95,17.14,;10.73,9.41,;9.83,8.17,)|
Show InChI InChI=1S/C47H44N6O5/c1-48-21-23-50(24-22-48)29-36-25-31-7-3-4-8-33(31)28-52(36)46(55)38-15-17-43-45(58-30-57-43)44(38)42-27-39(41-9-5-6-19-51(41)42)47(56)53(34-10-13-37(54)14-11-34)35-12-16-40-32(26-35)18-20-49(40)2/h3-20,26-27,36,54H,21-25,28-30H2,1-2H3/t36-/m0/s1
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n/an/a 12n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177840
PNG
(US9120791, Example 59 | US9603854, 59)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H41N5O6/c1-47-17-15-31-23-34(11-14-40(31)47)51(33-9-12-36(52)13-10-33)46(54)39-24-42(49-16-5-4-8-41(39)49)37-25-43-44(57-29-56-43)26-38(37)45(53)50-27-32-7-3-2-6-30(32)22-35(50)28-48-18-20-55-21-19-48/h2-17,23-26,35,52H,18-22,27-29H2,1H3/t35-/m0/s1
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n/an/a 13n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177812
PNG
(US9120791, Example 30 | US9603854, 30)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3CCCCn23)CC1
Show InChI InChI=1S/C46H47ClN6O3/c1-48-21-23-50(24-22-48)30-37-25-31-7-3-4-8-33(31)29-52(37)45(55)39-16-10-34(47)27-40(39)44-28-41(43-9-5-6-19-51(43)44)46(56)53(35-11-14-38(54)15-12-35)36-13-17-42-32(26-36)18-20-49(42)2/h3-4,7-8,10-18,20,26-28,37,54H,5-6,9,19,21-25,29-30H2,1-2H3/t37-/m0/s1
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n/an/a 13n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177831
PNG
(US9120791, Example 50 | US9120791, Example 94 | US...)
Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H44N6O6/c1-47-39-14-11-33(21-31(39)25-46-47)51(32-9-12-35(52)13-10-32)45(54)38-22-41(49-15-5-4-8-40(38)49)36-23-42-43(57-28-56-42)24-37(36)44(53)50-26-30-7-3-2-6-29(30)20-34(50)27-48-16-18-55-19-17-48/h2-3,6-7,9-14,21-25,34,52H,4-5,8,15-20,26-28H2,1H3/t34-/m0/s1
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n/an/a 13n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177793
PNG
(US9120791, Example 9 | US9603854, 9)
Show SMILES CN1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H47N5O6/c1-47-17-15-31-23-34(11-14-40(31)47)51(33-9-12-36(52)13-10-33)46(54)39-24-42(49-16-5-4-8-41(39)49)37-25-43-44(57-29-56-43)26-38(37)45(53)50-27-32-7-3-2-6-30(32)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-14,23-26,35,52H,4-5,8,15-22,27-29H2,1H3/t35-/m0/s1
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n/an/a 13n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177823
PNG
(US9120791, Example 42 | US9603854, 42)
Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H43ClN6O4/c1-47-40-16-12-34(23-31(40)26-46-47)51(33-10-13-36(52)14-11-33)44(54)39-25-42(49-17-5-4-8-41(39)49)38-24-32(45)9-15-37(38)43(53)50-27-30-7-3-2-6-29(30)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-16,23-26,35,52H,4-5,8,17-22,27-28H2,1H3/t35-/m0/s1
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n/an/a 13n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177846
PNG
(US9120791, Example 65 | US9603854, 65)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3ccccn23)CC1
Show InChI InChI=1S/C46H43ClN6O3/c1-48-21-23-50(24-22-48)30-37-25-31-7-3-4-8-33(31)29-52(37)45(55)39-16-10-34(47)27-40(39)44-28-41(43-9-5-6-19-51(43)44)46(56)53(35-11-14-38(54)15-12-35)36-13-17-42-32(26-36)18-20-49(42)2/h3-20,26-28,37,54H,21-25,29-30H2,1-2H3/t37-/m0/s1
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n/an/a 14n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177825
PNG
(US9120791, Example 44 | US9603854, 44)
Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H43FN6O4/c1-47-40-16-12-34(23-31(40)26-46-47)51(33-10-13-36(52)14-11-33)44(54)39-25-42(49-17-5-4-8-41(39)49)38-24-32(45)9-15-37(38)43(53)50-27-30-7-3-2-6-29(30)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-16,23-26,35,52H,4-5,8,17-22,27-28H2,1H3/t35-/m0/s1
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n/an/a 14n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177805
PNG
(US9120791, Example 23 | US9603854, 23)
Show SMILES CN1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H46ClN5O4/c1-47-19-17-31-25-35(12-16-41(31)47)51(34-10-13-37(52)14-11-34)45(54)40-27-43(49-18-5-4-8-42(40)49)39-26-33(46)9-15-38(39)44(53)50-28-32-7-3-2-6-30(32)24-36(50)29-48-20-22-55-23-21-48/h2-3,6-7,9-16,25-27,36,52H,4-5,8,17-24,28-29H2,1H3/t36-/m0/s1
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n/an/a 14n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177821
PNG
(US9120791, Example 40 | US9603854, 40)
Show SMILES CN1CCCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C48H51N5O6/c1-49-17-6-9-33-26-36(13-16-42(33)49)53(35-11-14-38(54)15-12-35)48(56)41-27-44(51-18-5-4-10-43(41)51)39-28-45-46(59-24-23-58-45)29-40(39)47(55)52-30-34-8-3-2-7-32(34)25-37(52)31-50-19-21-57-22-20-50/h2-3,7-8,11-16,26-29,37,54H,4-6,9-10,17-25,30-31H2,1H3/t37-/m0/s1
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n/an/a 15n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177889
PNG
(US9120791, Example 118 | US9603854, 118)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C42H39ClF2N4O4/c43-29-8-14-34(41(51)48-25-28-6-2-1-5-27(28)21-32(48)26-46-17-19-53-20-18-46)35(22-29)40-24-36(39-7-3-4-16-47(39)40)42(52)49(30-9-12-33(50)13-10-30)31-11-15-37(44)38(45)23-31/h1-2,5-6,8-15,22-24,32,50H,3-4,7,16-21,25-26H2/t32-/m0/s1
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n/an/a 15n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177791
PNG
(US9120791, Example 6 | US9603854, 6)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C43H42N4O7/c48-33-12-8-30(9-13-33)47(31-10-14-34(49)15-11-31)43(51)37-22-39(45-16-4-3-7-38(37)45)35-23-40-41(54-27-53-40)24-36(35)42(50)46-25-29-6-2-1-5-28(29)21-32(46)26-44-17-19-52-20-18-44/h1-2,5-6,8-15,22-24,32,48-49H,3-4,7,16-21,25-27H2/t32-/m0/s1
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n/an/a 15n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177888
PNG
(US9120791, Example 117 | US9603854, 117)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(F)cc1F
Show InChI InChI=1S/C42H39ClF2N4O4/c43-29-8-14-34(41(51)48-25-28-6-2-1-5-27(28)21-32(48)26-46-17-19-53-20-18-46)35(22-29)40-24-36(38-7-3-4-16-47(38)40)42(52)49(31-10-12-33(50)13-11-31)39-15-9-30(44)23-37(39)45/h1-2,5-6,8-15,22-24,32,50H,3-4,7,16-21,25-26H2/t32-/m0/s1
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n/an/a 15n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177817
PNG
(US9120791, Example 35 | US9603854, 35)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H47N5O6/c1-48-17-15-32-25-35(11-14-41(32)48)52(34-9-12-37(53)13-10-34)47(55)40-26-43(50-16-5-4-8-42(40)50)38-27-44-45(58-23-22-57-44)28-39(38)46(54)51-29-33-7-3-2-6-31(33)24-36(51)30-49-18-20-56-21-19-49/h2-3,6-7,9-15,17,25-28,36,53H,4-5,8,16,18-24,29-30H2,1H3/t36-/m0/s1
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n/an/a 15n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177792
PNG
(US9120791, Example 8 | US9603854, 8)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc2NCCc2c1
Show InChI InChI=1S/C45H45N5O6/c51-35-11-8-32(9-12-35)50(33-10-13-39-30(22-33)14-15-46-39)45(53)38-23-41(48-16-4-3-7-40(38)48)36-24-42-43(56-28-55-42)25-37(36)44(52)49-26-31-6-2-1-5-29(31)21-34(49)27-47-17-19-54-20-18-47/h1-2,5-6,8-13,22-25,34,46,51H,3-4,7,14-21,26-28H2/t34-/m0/s1
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n/an/a 15n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177882
PNG
(US9120791, Example 111 | US9603854, 111)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(F)cc1
Show InChI InChI=1S/C42H40ClFN4O4/c43-30-8-17-36(41(50)47-26-29-6-2-1-5-28(29)23-34(47)27-45-19-21-52-22-20-45)37(24-30)40-25-38(39-7-3-4-18-46(39)40)42(51)48(32-11-9-31(44)10-12-32)33-13-15-35(49)16-14-33/h1-2,5-6,8-17,24-25,34,49H,3-4,7,18-23,26-27H2/t34-/m0/s1
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n/an/a 15n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177847
PNG
(US9120791, Example 66 | US9603854, 66)
Show SMILES CN1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H42ClN5O4/c1-47-19-17-31-25-35(12-16-41(31)47)51(34-10-13-37(52)14-11-34)45(54)40-27-43(49-18-5-4-8-42(40)49)39-26-33(46)9-15-38(39)44(53)50-28-32-7-3-2-6-30(32)24-36(50)29-48-20-22-55-23-21-48/h2-16,18,25-27,36,52H,17,19-24,28-29H2,1H3/t36-/m0/s1
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n/an/a 16n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177892
PNG
(US9120791, Example 122 | US9603854, 122)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1cccc(F)c1
Show InChI InChI=1S/C43H41FN4O6/c44-30-8-5-9-32(21-30)48(31-11-13-34(49)14-12-31)43(51)37-22-39(46-15-4-3-10-38(37)46)35-23-40-41(54-27-53-40)24-36(35)42(50)47-25-29-7-2-1-6-28(29)20-33(47)26-45-16-18-52-19-17-45/h1-2,5-9,11-14,21-24,33,49H,3-4,10,15-20,25-27H2/t33-/m0/s1
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n/an/a 16n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177820
PNG
(US9120791, Example 39 | US9603854, 39)
Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H46N6O6/c1-48-40-14-11-34(23-32(40)27-47-48)52(33-9-12-36(53)13-10-33)46(55)39-24-42(50-15-5-4-8-41(39)50)37-25-43-44(58-21-20-57-43)26-38(37)45(54)51-28-31-7-3-2-6-30(31)22-35(51)29-49-16-18-56-19-17-49/h2-3,6-7,9-14,23-27,35,53H,4-5,8,15-22,28-29H2,1H3/t35-/m0/s1
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n/an/a 16n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177884
PNG
(US9120791, Example 113 | US9603854, 113)
Show SMILES OC1CCn2c(C1)c(cc2-c1cc2OCOc2cc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)N(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C43H42N4O7/c48-33-12-10-31(11-13-33)47(30-8-2-1-3-9-30)43(51)37-22-39(45-15-14-34(49)21-38(37)45)35-23-40-41(54-27-53-40)24-36(35)42(50)46-25-29-7-5-4-6-28(29)20-32(46)26-44-16-18-52-19-17-44/h1-13,22-24,32,34,48-49H,14-21,25-27H2/t32-,34?/m0/s1
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n/an/a 16n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177796
PNG
(US9120791, Example 14 | US9603854, 14)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H47N5O6/c1-48-19-16-32-24-35(12-15-41(32)48)52(34-10-13-37(53)14-11-34)47(55)40-25-43(50-18-5-4-9-42(40)50)38-26-44-45(58-30-57-44)27-39(38)46(54)51-28-33-8-3-2-7-31(33)23-36(51)29-49-17-6-21-56-22-20-49/h2-3,7-8,10-16,19,24-27,36,53H,4-6,9,17-18,20-23,28-30H2,1H3/t36-/m0/s1
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n/an/a 16n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177833
PNG
(US9120791, Example 52 | US9603854, 52)
Show SMILES CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C43H42ClN5O3/c1-45(2)27-34-22-28-8-4-5-9-30(28)26-48(34)42(51)36-17-11-31(44)24-37(36)41-25-38(40-10-6-7-20-47(40)41)43(52)49(32-12-15-35(50)16-13-32)33-14-18-39-29(23-33)19-21-46(39)3/h4-5,8-9,11-19,21,23-25,34,50H,6-7,10,20,22,26-27H2,1-3H3/t34-/m0/s1
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n/an/a 16n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177806
PNG
(US9120791, Example 24 | US9603854, 24)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H44FN5O4/c1-47-19-17-31-25-35(12-16-41(31)47)51(34-10-13-37(52)14-11-34)45(54)40-27-43(49-18-5-4-8-42(40)49)39-26-33(46)9-15-38(39)44(53)50-28-32-7-3-2-6-30(32)24-36(50)29-48-20-22-55-23-21-48/h2-3,6-7,9-17,19,25-27,36,52H,4-5,8,18,20-24,28-29H2,1H3/t36-/m0/s1
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n/an/a 17n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177808
PNG
(US9120791, Example 26 | US9603854, 26)
Show SMILES CN1CCCc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H48ClN5O4/c1-48-19-6-9-32-26-36(14-18-42(32)48)52(35-12-15-38(53)16-13-35)46(55)41-28-44(50-20-5-4-10-43(41)50)40-27-34(47)11-17-39(40)45(54)51-29-33-8-3-2-7-31(33)25-37(51)30-49-21-23-56-24-22-49/h2-3,7-8,11-18,26-28,37,53H,4-6,9-10,19-25,29-30H2,1H3/t37-/m0/s1
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n/an/a 17n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177797
PNG
(US9120791, Example 15 | US9603854, 15)
Show SMILES C[C@@H]1COCCN1C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2OCOc2cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C47H47N5O6/c1-30-28-56-20-19-49(30)27-36-21-31-7-3-4-8-33(31)26-51(36)46(54)39-25-45-44(57-29-58-45)24-38(39)43-23-40(42-9-5-6-17-50(42)43)47(55)52(34-10-13-37(53)14-11-34)35-12-15-41-32(22-35)16-18-48(41)2/h3-4,7-8,10-16,18,22-25,30,36,53H,5-6,9,17,19-21,26-29H2,1-2H3/t30-,36+/m1/s1
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n/an/a 17n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177854
PNG
(US9120791, Example 76 | US9603854, 76)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3CCCn23)CC1
Show InChI InChI=1S/C46H46N6O5/c1-47-18-20-49(21-19-47)28-35-22-30-6-3-4-7-32(30)27-51(35)45(54)38-26-44-43(56-29-57-44)25-37(38)42-24-39(41-8-5-16-50(41)42)46(55)52(33-9-12-36(53)13-10-33)34-11-14-40-31(23-34)15-17-48(40)2/h3-4,6-7,9-15,17,23-26,35,53H,5,8,16,18-22,27-29H2,1-2H3/t35-/m0/s1
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n/an/a 17n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177809
PNG
(US9120791, Example 27 | US9603854, 27)
Show SMILES CN1CCOc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H46ClN5O5/c1-47-18-23-56-43-26-34(12-16-41(43)47)51(33-10-13-36(52)14-11-33)45(54)39-27-42(49-17-5-4-8-40(39)49)38-25-32(46)9-15-37(38)44(53)50-28-31-7-3-2-6-30(31)24-35(50)29-48-19-21-55-22-20-48/h2-3,6-7,9-16,25-27,35,52H,4-5,8,17-24,28-29H2,1H3/t35-/m0/s1
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n/an/a 17n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177798
PNG
(US9120791, Example 16 | US9603854, 16)
Show SMILES C[C@H]1COCCN1C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2OCOc2cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C47H47N5O6/c1-30-28-56-20-19-49(30)27-36-21-31-7-3-4-8-33(31)26-51(36)46(54)39-25-45-44(57-29-58-45)24-38(39)43-23-40(42-9-5-6-17-50(42)43)47(55)52(34-10-13-37(53)14-11-34)35-12-15-41-32(22-35)16-18-48(41)2/h3-4,7-8,10-16,18,22-25,30,36,53H,5-6,9,17,19-21,26-29H2,1-2H3/t30-,36-/m0/s1
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n/an/a 18n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177861
PNG
(US9120791, Example 83 | US9603854, 83)
Show SMILES Cn1ccc2ccc(cc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H46ClN5O4/c1-48-20-18-31-10-12-36(27-43(31)48)52(35-13-15-38(53)16-14-35)46(55)41-28-44(50-19-6-2-3-9-42(41)50)40-26-34(47)11-17-39(40)45(54)51-29-33-8-5-4-7-32(33)25-37(51)30-49-21-23-56-24-22-49/h4-5,7-8,10-18,20,26-28,37,53H,2-3,6,9,19,21-25,29-30H2,1H3/t37-/m0/s1
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n/an/a 18n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177858
PNG
(US9120791, Example 80 | US9603854, 80)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H43N5O7/c1-46-13-12-30-21-33(8-11-39(30)46)50(32-6-9-35(51)10-7-32)45(53)38-22-40(48-16-19-55-27-41(38)48)36-23-42-43(57-28-56-42)24-37(36)44(52)49-25-31-5-3-2-4-29(31)20-34(49)26-47-14-17-54-18-15-47/h2-13,21-24,34,51H,14-20,25-28H2,1H3/t34-/m0/s1
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n/an/a 18n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177862
PNG
(US9120791, Example 84 | US9603854, 84)
Show SMILES Cn1ccc2ccc(cc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H47N5O6/c1-48-18-16-31-10-11-35(24-42(31)48)52(34-12-14-37(53)15-13-34)47(55)40-25-43(50-17-6-2-3-9-41(40)50)38-26-44-45(58-30-57-44)27-39(38)46(54)51-28-33-8-5-4-7-32(33)23-36(51)29-49-19-21-56-22-20-49/h4-5,7-8,10-16,18,24-27,36,53H,2-3,6,9,17,19-23,28-30H2,1H3/t36-/m0/s1
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n/an/a 18n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177786
PNG
(US9120791, Example 1 | US9120791, Example 38 | US9...)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1
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n/an/a 18n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177794
PNG
(US9120791, Example 10 | US9120791, Example 37 | US...)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H45N5O6/c1-47-17-15-31-23-34(11-14-40(31)47)51(33-9-12-36(52)13-10-33)46(54)39-24-42(49-16-5-4-8-41(39)49)37-25-43-44(57-29-56-43)26-38(37)45(53)50-27-32-7-3-2-6-30(32)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-15,17,23-26,35,52H,4-5,8,16,18-22,27-29H2,1H3/t35-/m0/s1
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n/an/a 18n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177850
PNG
(US9120791, Example 70 | US9603854, 70)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H43N5O6/c1-48-17-15-32-25-35(11-14-41(32)48)52(34-9-12-37(53)13-10-34)47(55)40-26-43(50-16-5-4-8-42(40)50)38-27-44-45(58-23-22-57-44)28-39(38)46(54)51-29-33-7-3-2-6-31(33)24-36(51)30-49-18-20-56-21-19-49/h2-17,25-28,36,53H,18-24,29-30H2,1H3/t36-/m0/s1
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n/an/a 19n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177789
PNG
(US9120791, Example 4 | US9120791, Example 51 | US9...)
Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H43FN4O6/c1-28-9-10-32(21-38(28)45)49(31-11-13-34(50)14-12-31)44(52)37-22-40(47-15-5-4-8-39(37)47)35-23-41-42(55-27-54-41)24-36(35)43(51)48-25-30-7-3-2-6-29(30)20-33(48)26-46-16-18-53-19-17-46/h2-3,6-7,9-14,21-24,33,50H,4-5,8,15-20,25-27H2,1H3/t33-/m0/s1
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n/an/a 19n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177794
PNG
(US9120791, Example 10 | US9120791, Example 37 | US...)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H45N5O6/c1-47-17-15-31-23-34(11-14-40(31)47)51(33-9-12-36(52)13-10-33)46(54)39-24-42(49-16-5-4-8-41(39)49)37-25-43-44(57-29-56-43)26-38(37)45(53)50-27-32-7-3-2-6-30(32)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-15,17,23-26,35,52H,4-5,8,16,18-22,27-29H2,1H3/t35-/m0/s1
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n/an/a 19n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177841
PNG
(US9120791, Example 60 | US9603854, 60)
Show SMILES CCn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H43N5O6/c1-2-49-18-16-32-24-35(12-15-41(32)49)52(34-10-13-37(53)14-11-34)47(55)40-25-43(50-17-6-5-9-42(40)50)38-26-44-45(58-30-57-44)27-39(38)46(54)51-28-33-8-4-3-7-31(33)23-36(51)29-48-19-21-56-22-20-48/h3-18,24-27,36,53H,2,19-23,28-30H2,1H3/t36-/m0/s1
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n/an/a 19n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177871
PNG
(US9120791, Example 97 | US9603854, 97)
Show SMILES Cc1ccc(cc1Cl)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C43H42Cl2N4O4/c1-28-9-11-33(24-39(28)45)49(32-12-14-35(50)15-13-32)43(52)38-25-41(47-17-5-4-8-40(38)47)37-23-31(44)10-16-36(37)42(51)48-26-30-7-3-2-6-29(30)22-34(48)27-46-18-20-53-21-19-46/h2-3,6-7,9-16,23-25,34,50H,4-5,8,17-22,26-27H2,1H3/t34-/m0/s1
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n/an/a 20n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177787
PNG
(US9120791, Example 2 | US9603854, 2)
Show SMILES Cc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H44N4O6/c1-29-9-11-32(12-10-29)48(33-13-15-35(49)16-14-33)44(51)38-23-40(46-17-5-4-8-39(38)46)36-24-41-42(54-28-53-41)25-37(36)43(50)47-26-31-7-3-2-6-30(31)22-34(47)27-45-18-20-52-21-19-45/h2-3,6-7,9-16,23-25,34,49H,4-5,8,17-22,26-28H2,1H3/t34-/m0/s1
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n/an/a 20n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177788
PNG
(US9120791, Example 3 | US9603854, 3)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H41ClN4O6/c44-30-8-10-31(11-9-30)48(32-12-14-34(49)15-13-32)43(51)37-22-39(46-16-4-3-7-38(37)46)35-23-40-41(54-27-53-40)24-36(35)42(50)47-25-29-6-2-1-5-28(29)21-33(47)26-45-17-19-52-20-18-45/h1-2,5-6,8-15,22-24,33,49H,3-4,7,16-21,25-27H2/t33-/m0/s1
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n/an/a 20n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177837
PNG
(US9120791, Example 56 | US9603854, 56)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H41N5O4/c1-46-21-19-32-27-35(15-18-41(32)46)50(34-13-16-37(51)17-14-34)45(53)40-28-43(48-20-7-6-12-42(40)48)38-10-4-5-11-39(38)44(52)49-29-33-9-3-2-8-31(33)26-36(49)30-47-22-24-54-25-23-47/h2-21,27-28,36,51H,22-26,29-30H2,1H3/t36-/m0/s1
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n/an/a 20n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177851
PNG
(US9120791, Example 71 | US9603854, 71)
Show SMILES COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2ccccn12
Show InChI InChI=1S/C46H43N5O5/c1-47-20-18-32-26-35(12-17-42(32)47)51(34-10-13-37(52)14-11-34)46(54)41-28-44(49-19-6-5-9-43(41)49)40-27-38(55-2)15-16-39(40)45(53)50-29-33-8-4-3-7-31(33)25-36(50)30-48-21-23-56-24-22-48/h3-20,26-28,36,52H,21-25,29-30H2,1-2H3/t36-/m0/s1
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n/an/a 21n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177827
PNG
(US9120791, Example 46 | US9603854, 46)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H46ClN5O4/c1-48-21-18-32-26-36(13-17-42(32)48)52(35-11-14-38(53)15-12-35)46(55)41-28-44(50-20-5-4-9-43(41)50)40-27-34(47)10-16-39(40)45(54)51-29-33-8-3-2-7-31(33)25-37(51)30-49-19-6-23-56-24-22-49/h2-3,7-8,10-18,21,26-28,37,53H,4-6,9,19-20,22-25,29-30H2,1H3/t37-/m0/s1
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n/an/a 21n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177786
PNG
(US9120791, Example 1 | US9120791, Example 38 | US9...)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1
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n/an/a 21n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177844
PNG
(US9120791, Example 63 | US9603854, 63)
Show SMILES CCN1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H45N5O6/c1-2-49-18-16-32-24-35(12-15-41(32)49)52(34-10-13-37(53)14-11-34)47(55)40-25-43(50-17-6-5-9-42(40)50)38-26-44-45(58-30-57-44)27-39(38)46(54)51-28-33-8-4-3-7-31(33)23-36(51)29-48-19-21-56-22-20-48/h3-15,17,24-27,36,53H,2,16,18-23,28-30H2,1H3/t36-/m0/s1
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n/an/a 21n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177843
PNG
(US9120791, Example 62 | US9603854, 62)
Show SMILES CC(C)n1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C48H45N5O6/c1-31(2)50-18-16-33-24-36(12-15-42(33)50)53(35-10-13-38(54)14-11-35)48(56)41-25-44(51-17-6-5-9-43(41)51)39-26-45-46(59-30-58-45)27-40(39)47(55)52-28-34-8-4-3-7-32(34)23-37(52)29-49-19-21-57-22-20-49/h3-18,24-27,31,37,54H,19-23,28-30H2,1-2H3/t37-/m0/s1
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n/an/a 22n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177803
PNG
(US9120791, Example 21 | US9603854, 21)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc2NCCc2c1
Show InChI InChI=1S/C44H44ClN5O4/c45-32-8-14-37(43(52)49-27-31-6-2-1-5-29(31)23-35(49)28-47-19-21-54-22-20-47)38(25-32)42-26-39(41-7-3-4-18-48(41)42)44(53)50(33-9-12-36(51)13-10-33)34-11-15-40-30(24-34)16-17-46-40/h1-2,5-6,8-15,24-26,35,46,51H,3-4,7,16-23,27-28H2/t35-/m0/s1
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n/an/a 22n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177839
PNG
(US9120791, Example 58 | US9603854, 58)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccccc1
Show InChI InChI=1S/C43H38N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-17,23-25,33,48H,18-22,26-28H2/t33-/m0/s1
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n/an/a 22n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177893
PNG
(US9120791, Example 123 | US9603854, 123)
Show SMILES CS(=O)(=O)N1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccccc3)c3ccc(O)cc3)c3CCCCn23)CC1
Show InChI InChI=1S/C44H45N5O7S/c1-57(53,54)46-21-19-45(20-22-46)28-34-23-30-9-5-6-10-31(30)27-48(34)43(51)37-26-42-41(55-29-56-42)25-36(37)40-24-38(39-13-7-8-18-47(39)40)44(52)49(32-11-3-2-4-12-32)33-14-16-35(50)17-15-33/h2-6,9-12,14-17,24-26,34,50H,7-8,13,18-23,27-29H2,1H3/t34-/m0/s1
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n/an/a 22n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177874
PNG
(US9120791, Example 100)
Show SMILES OC1CCn2c(C1)c(cc2-c1cc(F)ccc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)C(=O)N(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C42H41FN4O5/c43-30-10-15-36(41(50)46-26-29-7-5-4-6-28(29)22-33(46)27-44-18-20-52-21-19-44)37(23-30)40-25-38(39-24-35(49)16-17-45(39)40)42(51)47(31-8-2-1-3-9-31)32-11-13-34(48)14-12-32/h1-15,23,25,33,35,48-49H,16-22,24,26-27H2/t33-,35?/m0/s1
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n/an/a 22n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177864
PNG
(US9120791, Example 86 | US9603854, 86)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H42ClN5O5/c1-46-15-14-30-23-34(9-13-40(30)46)50(33-7-10-36(51)11-8-33)44(53)39-25-41(48-18-21-55-28-42(39)48)38-24-32(45)6-12-37(38)43(52)49-26-31-5-3-2-4-29(31)22-35(49)27-47-16-19-54-20-17-47/h2-15,23-25,35,51H,16-22,26-28H2,1H3/t35-/m0/s1
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n/an/a 22n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177842
PNG
(US9120791, Example 61 | US9603854, 61)
Show SMILES CN1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H43N5O6/c1-47-17-15-31-23-34(11-14-40(31)47)51(33-9-12-36(52)13-10-33)46(54)39-24-42(49-16-5-4-8-41(39)49)37-25-43-44(57-29-56-43)26-38(37)45(53)50-27-32-7-3-2-6-30(32)22-35(50)28-48-18-20-55-21-19-48/h2-14,16,23-26,35,52H,15,17-22,27-29H2,1H3/t35-/m0/s1
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n/an/a 22n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177815
PNG
(US9120791, Example 33 | US9603854, 33)
Show SMILES COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C46H47N5O5/c1-47-20-18-32-26-35(12-17-42(32)47)51(34-10-13-37(52)14-11-34)46(54)41-28-44(49-19-6-5-9-43(41)49)40-27-38(55-2)15-16-39(40)45(53)50-29-33-8-4-3-7-31(33)25-36(50)30-48-21-23-56-24-22-48/h3-4,7-8,10-18,20,26-28,36,52H,5-6,9,19,21-25,29-30H2,1-2H3/t36-/m0/s1
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n/an/a 23n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177855
PNG
(US9120791, Example 77 | US9603854, 77)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3CCCn23)CC1
Show InChI InChI=1S/C45H45ClN6O3/c1-47-20-22-49(23-21-47)29-36-24-30-6-3-4-7-32(30)28-51(36)44(54)38-15-9-33(46)26-39(38)43-27-40(42-8-5-18-50(42)43)45(55)52(34-10-13-37(53)14-11-34)35-12-16-41-31(25-35)17-19-48(41)2/h3-4,6-7,9-17,19,25-27,36,53H,5,8,18,20-24,28-29H2,1-2H3/t36-/m0/s1
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n/an/a 23n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177853
PNG
(US9120791, Example 74 | US9603854, 74)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCNCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H44N6O6/c1-47-14-12-30-21-33(8-11-39(30)47)51(32-6-9-35(52)10-7-32)45(54)38-22-40(49-15-13-46-25-41(38)49)36-23-42-43(57-28-56-42)24-37(36)44(53)50-26-31-5-3-2-4-29(31)20-34(50)27-48-16-18-55-19-17-48/h2-12,14,21-24,34,46,52H,13,15-20,25-28H2,1H3/t34-/m0/s1
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n/an/a 24n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177848
PNG
(US9120791, Example 67 | US9603854, 67)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H40ClN5O4/c1-47-19-17-31-25-35(12-16-41(31)47)51(34-10-13-37(52)14-11-34)45(54)40-27-43(49-18-5-4-8-42(40)49)39-26-33(46)9-15-38(39)44(53)50-28-32-7-3-2-6-30(32)24-36(50)29-48-20-22-55-23-21-48/h2-19,25-27,36,52H,20-24,28-29H2,1H3/t36-/m0/s1
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n/an/a 24n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177873
PNG
(US9120791, Example 99 | US9603854, 100)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccc(F)cc1
Show InChI InChI=1S/C41H38F2N4O5/c42-29-5-8-31(9-6-29)47(32-10-12-34(48)13-11-32)41(50)37-23-38(45-17-20-52-26-39(37)45)36-22-30(43)7-14-35(36)40(49)46-24-28-4-2-1-3-27(28)21-33(46)25-44-15-18-51-19-16-44/h1-14,22-23,33,48H,15-21,24-26H2/t33-/m0/s1
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n/an/a 25n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177810
PNG
(US9120791, Example 28 | US9603854, 28)
Show SMILES CCN(CC)c1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H50ClN5O4/c1-3-49(4-2)35-13-15-36(16-14-35)52(37-17-19-39(53)20-18-37)46(55)42-29-44(50-22-8-7-11-43(42)50)41-28-34(47)12-21-40(41)45(54)51-30-33-10-6-5-9-32(33)27-38(51)31-48-23-25-56-26-24-48/h5-6,9-10,12-21,28-29,38,53H,3-4,7-8,11,22-27,30-31H2,1-2H3/t38-/m0/s1
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n/an/a 25n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177897
PNG
(US9120791, Example 127 | US9603854, 127)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(CC(F)(F)F)CC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C45H44F3N5O5/c46-45(47,48)28-50-20-18-49(19-21-50)27-34-22-30-8-4-5-9-31(30)26-52(34)43(55)37-25-42-41(57-29-58-42)24-36(37)40-23-38(39-12-6-7-17-51(39)40)44(56)53(32-10-2-1-3-11-32)33-13-15-35(54)16-14-33/h1-5,8-11,13-16,23-25,34,54H,6-7,12,17-22,26-29H2/t34-/m0/s1
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n/an/a 26n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177849
PNG
(US9120791, Example 69 | US9603854, 69)
Show SMILES CN1CCCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C48H47N5O6/c1-49-17-6-9-33-26-36(13-16-42(33)49)53(35-11-14-38(54)15-12-35)48(56)41-27-44(51-18-5-4-10-43(41)51)39-28-45-46(59-24-23-58-45)29-40(39)47(55)52-30-34-8-3-2-7-32(34)25-37(52)31-50-19-21-57-22-20-50/h2-5,7-8,10-16,18,26-29,37,54H,6,9,17,19-25,30-31H2,1H3/t37-/m0/s1
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n/an/a 26n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177822
PNG
(US9120791, Example 41 | US9603854, 41)
Show SMILES CN1CCOc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H49N5O7/c1-48-16-21-57-43-25-34(11-14-41(43)48)52(33-9-12-36(53)13-10-33)47(55)39-26-42(50-15-5-4-8-40(39)50)37-27-44-45(59-23-22-58-44)28-38(37)46(54)51-29-32-7-3-2-6-31(32)24-35(51)30-49-17-19-56-20-18-49/h2-3,6-7,9-14,25-28,35,53H,4-5,8,15-24,29-30H2,1H3/t35-/m0/s1
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n/an/a 26n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177896
PNG
(US9120791, Example 126 | US9603854, 126)
Show SMILES Cc1cccc(c1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C43H43ClN4O4/c1-29-7-6-10-34(23-29)48(33-13-15-36(49)16-14-33)43(51)39-26-41(46-18-5-4-11-40(39)46)38-25-32(44)12-17-37(38)42(50)47-27-31-9-3-2-8-30(31)24-35(47)28-45-19-21-52-22-20-45/h2-3,6-10,12-17,23,25-26,35,49H,4-5,11,18-22,24,27-28H2,1H3/t35-/m0/s1
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n/an/a 26n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177804
PNG
(US9120791, Example 22 | US9603854, 22)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H44ClN5O4/c1-47-19-17-31-25-35(12-16-41(31)47)51(34-10-13-37(52)14-11-34)45(54)40-27-43(49-18-5-4-8-42(40)49)39-26-33(46)9-15-38(39)44(53)50-28-32-7-3-2-6-30(32)24-36(50)29-48-20-22-55-23-21-48/h2-3,6-7,9-17,19,25-27,36,52H,4-5,8,18,20-24,28-29H2,1H3/t36-/m0/s1
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n/an/a 27n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177801
PNG
(US9120791, Example 19 | US9603854, 19)
Show SMILES CN1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc(Br)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H46BrN5O4/c1-47-19-17-31-25-35(12-16-41(31)47)51(34-10-13-37(52)14-11-34)45(54)40-27-43(49-18-5-4-8-42(40)49)39-26-33(46)9-15-38(39)44(53)50-28-32-7-3-2-6-30(32)24-36(50)29-48-20-22-55-23-21-48/h2-3,6-7,9-16,25-27,36,52H,4-5,8,17-24,28-29H2,1H3/t36-/m0/s1
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n/an/a 27n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177816
PNG
(US9120791, Example 34 | US9603854, 34)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C44H44N4O6/c49-35-15-13-33(14-16-35)48(32-10-2-1-3-11-32)44(51)38-25-40(46-17-7-6-12-39(38)46)36-26-41-42(54-23-22-53-41)27-37(36)43(50)47-28-31-9-5-4-8-30(31)24-34(47)29-45-18-20-52-21-19-45/h1-5,8-11,13-16,25-27,34,49H,6-7,12,17-24,28-29H2/t34-/m0/s1
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n/an/a 27n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177865
PNG
(US9120791, Example 87 | US9603854, 87)
Show SMILES CCCCN(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C41H46N4O6/c1-2-3-15-43(30-11-13-32(46)14-12-30)41(48)35-22-37(44-16-7-6-10-36(35)44)33-23-38-39(51-27-50-38)24-34(33)40(47)45-25-29-9-5-4-8-28(29)21-31(45)26-42-17-19-49-20-18-42/h4-5,8-9,11-14,22-24,31,46H,2-3,6-7,10,15-21,25-27H2,1H3/t31-/m0/s1
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n/an/a 27n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177894
PNG
(US9120791, Example 124 | US9603854, 124)
Show SMILES COc1cccc(c1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C43H43ClN4O5/c1-52-36-10-6-9-33(25-36)48(32-13-15-35(49)16-14-32)43(51)39-26-41(46-18-5-4-11-40(39)46)38-24-31(44)12-17-37(38)42(50)47-27-30-8-3-2-7-29(30)23-34(47)28-45-19-21-53-22-20-45/h2-3,6-10,12-17,24-26,34,49H,4-5,11,18-23,27-28H2,1H3/t34-/m0/s1
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n/an/a 28n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177859
PNG
(US9120791, Example 81 | US9603854, 81)
Show SMILES CN1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H45N5O7/c1-46-13-12-30-21-33(8-11-39(30)46)50(32-6-9-35(51)10-7-32)45(53)38-22-40(48-16-19-55-27-41(38)48)36-23-42-43(57-28-56-42)24-37(36)44(52)49-25-31-5-3-2-4-29(31)20-34(49)26-47-14-17-54-18-15-47/h2-11,21-24,34,51H,12-20,25-28H2,1H3/t34-/m0/s1
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n/an/a 28n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177881
PNG
(US9120791, Example 110 | US9603854, 110)
Show SMILES CCN(CCOC)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C46H48ClN5O4/c1-4-49(23-24-56-3)30-37-25-31-9-5-6-10-33(31)29-51(37)45(54)39-18-12-34(47)27-40(39)44-28-41(43-11-7-8-21-50(43)44)46(55)52(35-13-16-38(53)17-14-35)36-15-19-42-32(26-36)20-22-48(42)2/h5-6,9-10,12-20,22,26-28,37,53H,4,7-8,11,21,23-25,29-30H2,1-3H3/t37-/m0/s1
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n/an/a 29n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177807
PNG
(US9120791, Example 25 | US9603854, 25)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C42H41FN4O4/c43-31-13-18-36(41(49)46-27-30-9-5-4-8-29(30)24-34(46)28-44-20-22-51-23-21-44)37(25-31)40-26-38(39-12-6-7-19-45(39)40)42(50)47(32-10-2-1-3-11-32)33-14-16-35(48)17-15-33/h1-5,8-11,13-18,25-26,34,48H,6-7,12,19-24,27-28H2/t34-/m0/s1
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n/an/a 29n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM60598
PNG
(US9120791, 109)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2ccc3OCOc3c2C(=O)N2Cc3ccccc3C[C@H]2CON2CCOCC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C43H42N4O7/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)42(49)36-25-38(45-19-7-6-12-37(36)45)35-17-18-39-41(53-28-52-39)40(35)43(50)46-26-30-9-5-4-8-29(30)24-33(46)27-54-44-20-22-51-23-21-44/h1-5,8-11,13-18,25,33,48H,6-7,12,19-24,26-28H2/t33-/m0/s1
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n/an/a 30n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177900
PNG
(US9120791, Example 131 | US9603854, 131)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1cccc(Cl)c1
Show InChI InChI=1S/C42H40Cl2N4O4/c43-30-8-5-9-33(23-30)48(32-12-14-35(49)15-13-32)42(51)38-25-40(46-17-4-3-10-39(38)46)37-24-31(44)11-16-36(37)41(50)47-26-29-7-2-1-6-28(29)22-34(47)27-45-18-20-52-21-19-45/h1-2,5-9,11-16,23-25,34,49H,3-4,10,17-22,26-27H2/t34-/m0/s1
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n/an/a 30n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177857
PNG
(US9120791, Example 79 | US9603854, 79)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccc2NCCc2c1
Show InChI InChI=1S/C43H42ClN5O5/c44-31-5-11-36(42(51)48-25-30-4-2-1-3-28(30)21-34(48)26-46-15-18-53-19-16-46)37(23-31)40-24-38(41-27-54-20-17-47(40)41)43(52)49(32-6-9-35(50)10-7-32)33-8-12-39-29(22-33)13-14-45-39/h1-12,22-24,34,45,50H,13-21,25-27H2/t34-/m0/s1
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n/an/a 31n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177856
PNG
(US9120791, Example 78 | US9603854, 78)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccccc1
Show InChI InChI=1S/C41H39ClN4O5/c42-30-10-15-35(40(48)45-25-29-7-5-4-6-28(29)22-33(45)26-43-16-19-50-20-17-43)36(23-30)38-24-37(39-27-51-21-18-44(38)39)41(49)46(31-8-2-1-3-9-31)32-11-13-34(47)14-12-32/h1-15,23-24,33,47H,16-22,25-27H2/t33-/m0/s1
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n/an/a 31n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177845
PNG
(US9120791, Example 64 | US9603854, 64)
Show SMILES CC(C)N1CCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C48H47N5O6/c1-31(2)50-18-16-33-24-36(12-15-42(33)50)53(35-10-13-38(54)14-11-35)48(56)41-25-44(51-17-6-5-9-43(41)51)39-26-45-46(59-30-58-45)27-40(39)47(55)52-28-34-8-4-3-7-32(34)23-37(52)29-49-19-21-57-22-20-49/h3-15,17,24-27,31,37,54H,16,18-23,28-30H2,1-2H3/t37-/m0/s1
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n/an/a 31n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177789
PNG
(US9120791, Example 4 | US9120791, Example 51 | US9...)
Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H43FN4O6/c1-28-9-10-32(21-38(28)45)49(31-11-13-34(50)14-12-31)44(52)37-22-40(47-15-5-4-8-39(37)47)35-23-41-42(55-27-54-41)24-36(35)43(51)48-25-30-7-3-2-6-29(30)20-33(48)26-46-16-18-53-19-17-46/h2-3,6-7,9-14,21-24,33,50H,4-5,8,15-20,25-27H2,1H3/t33-/m0/s1
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n/an/a 32n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177800
PNG
(US9120791, Example 18 | US9603854, 18)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(Br)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C45H44BrN5O4/c1-47-19-17-31-25-35(12-16-41(31)47)51(34-10-13-37(52)14-11-34)45(54)40-27-43(49-18-5-4-8-42(40)49)39-26-33(46)9-15-38(39)44(53)50-28-32-7-3-2-6-30(32)24-36(50)29-48-20-22-55-23-21-48/h2-3,6-7,9-17,19,25-27,36,52H,4-5,8,18,20-24,28-29H2,1H3/t36-/m0/s1
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n/an/a 32n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177860
PNG
(US9120791, Example 82 | US9603854, 82)
Show SMILES Cc1ccc(cc1F)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCOCc12)c1ccc(O)cc1
Show InChI InChI=1S/C42H40ClFN4O5/c1-27-6-8-32(22-38(27)44)48(31-9-11-34(49)12-10-31)42(51)37-23-39(46-16-19-53-26-40(37)46)36-21-30(43)7-13-35(36)41(50)47-24-29-5-3-2-4-28(29)20-33(47)25-45-14-17-52-18-15-45/h2-13,21-23,33,49H,14-20,24-26H2,1H3/t33-/m0/s1
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n/an/a 33n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177813
PNG
(US9120791, Example 31 | US9603854, 31)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C45H46N4O6/c50-36-16-14-34(15-17-36)49(33-11-2-1-3-12-33)45(52)39-26-41(47-18-7-6-13-40(39)47)37-27-42-43(55-22-8-21-54-42)28-38(37)44(51)48-29-32-10-5-4-9-31(32)25-35(48)30-46-19-23-53-24-20-46/h1-5,9-12,14-17,26-28,35,50H,6-8,13,18-25,29-30H2/t35-/m0/s1
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n/an/a 33n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177814
PNG
(US9120791, Example 32 | US9603854, 32)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C48H49N5O6/c1-49-18-16-33-26-36(12-15-42(33)49)53(35-10-13-38(54)14-11-35)48(56)41-27-44(51-17-5-4-9-43(41)51)39-28-45-46(59-22-6-21-58-45)29-40(39)47(55)52-30-34-8-3-2-7-32(34)25-37(52)31-50-19-23-57-24-20-50/h2-3,7-8,10-16,18,26-29,37,54H,4-6,9,17,19-25,30-31H2,1H3/t37-/m0/s1
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n/an/a 34n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177836
PNG
(US9120791, Example 55 | US9603854, 55)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)c(F)c1
Show InChI InChI=1S/C45H43ClFN5O4/c1-48-17-15-30-23-33(10-13-40(30)48)52(34-11-14-43(53)39(47)25-34)45(55)38-26-42(50-16-5-4-8-41(38)50)37-24-32(46)9-12-36(37)44(54)51-27-31-7-3-2-6-29(31)22-35(51)28-49-18-20-56-21-19-49/h2-3,6-7,9-15,17,23-26,35,53H,4-5,8,16,18-22,27-28H2,1H3/t35-/m0/s1
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n/an/a 34n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177891
PNG
(US9120791, Example 121 | US9603854, 121)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2ccncc12)c1cccc(F)c1
Show InChI InChI=1S/C42H36FN5O6/c43-29-6-3-7-31(19-29)48(30-8-10-33(49)11-9-30)42(51)36-20-37(46-13-12-44-23-38(36)46)34-21-39-40(54-26-53-39)22-35(34)41(50)47-24-28-5-2-1-4-27(28)18-32(47)25-45-14-16-52-17-15-45/h1-13,19-23,32,49H,14-18,24-26H2/t32-/m0/s1
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n/an/a 34n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177811
PNG
(US9120791, Example 29 | US9603854, 29)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc2CCCc2c1
Show InChI InChI=1S/C45H45ClN4O4/c46-34-12-18-39(44(52)49-28-33-7-2-1-6-32(33)25-37(49)29-47-20-22-54-23-21-47)40(26-34)43-27-41(42-10-3-4-19-48(42)43)45(53)50(35-14-16-38(51)17-15-35)36-13-11-30-8-5-9-31(30)24-36/h1-2,6-7,11-18,24,26-27,37,51H,3-5,8-10,19-23,25,28-29H2/t37-/m0/s1
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n/an/a 35n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177802
PNG
(US9120791, Example 20 | US9603854, 20)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C42H41ClN4O4/c43-31-13-18-36(41(49)46-27-30-9-5-4-8-29(30)24-34(46)28-44-20-22-51-23-21-44)37(25-31)40-26-38(39-12-6-7-19-45(39)40)42(50)47(32-10-2-1-3-11-32)33-14-16-35(48)17-15-33/h1-5,8-11,13-18,25-26,34,48H,6-7,12,19-24,27-28H2/t34-/m0/s1
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n/an/a 35n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177901
PNG
(US9120791, Example 134 | US9603854, 134)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1C#N
Show InChI InChI=1S/C43H40ClN5O4/c44-32-12-17-36(42(51)48-27-31-9-2-1-7-29(31)23-34(48)28-46-19-21-53-22-20-46)37(24-32)41-25-38(40-11-5-6-18-47(40)41)43(52)49(33-13-15-35(50)16-14-33)39-10-4-3-8-30(39)26-45/h1-4,7-10,12-17,24-25,34,50H,5-6,11,18-23,27-28H2/t34-/m0/s1
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n/an/a 37n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177895
PNG
(US9120791, Example 125 | US9603854, 125)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1cc(F)cc(F)c1
Show InChI InChI=1S/C42H39ClF2N4O4/c43-29-8-13-36(41(51)48-25-28-6-2-1-5-27(28)19-34(48)26-46-15-17-53-18-16-46)37(20-29)40-24-38(39-7-3-4-14-47(39)40)42(52)49(32-9-11-35(50)12-10-32)33-22-30(44)21-31(45)23-33/h1-2,5-6,8-13,20-24,34,50H,3-4,7,14-19,25-26H2/t34-/m0/s1
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n/an/a 38n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177863
PNG
(US9120791, Example 85 | US9603854, 85)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccsc1
Show InChI InChI=1S/C40H39ClN4O4S/c41-29-8-13-34(39(47)44-24-28-6-2-1-5-27(28)21-32(44)25-42-16-18-49-19-17-42)35(22-29)38-23-36(37-7-3-4-15-43(37)38)40(48)45(31-14-20-50-26-31)30-9-11-33(46)12-10-30/h1-2,5-6,8-14,20,22-23,26,32,46H,3-4,7,15-19,21,24-25H2/t32-/m0/s1
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n/an/a 41n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM60596
PNG
(US9120791, 36 | US9603854, 36)
Show SMILES CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C47H49N5O5/c1-3-57-39-16-17-40(46(54)51-30-34-9-5-4-8-32(34)26-37(51)31-49-22-24-56-25-23-49)41(28-39)45-29-42(44-10-6-7-20-50(44)45)47(55)52(35-11-14-38(53)15-12-35)36-13-18-43-33(27-36)19-21-48(43)2/h4-5,8-9,11-19,21,27-29,37,53H,3,6-7,10,20,22-26,30-31H2,1-2H3/t37-/m0/s1
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n/an/a 43n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177830
PNG
(US9120791, Example 49)
Show SMILES CN1CC(C)(C)c2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H50ClN5O4/c1-47(2)30-49(3)43-18-14-35(26-41(43)47)53(34-12-15-37(54)16-13-34)46(56)40-27-44(51-19-7-6-10-42(40)51)39-25-33(48)11-17-38(39)45(55)52-28-32-9-5-4-8-31(32)24-36(52)29-50-20-22-57-23-21-50/h4-5,8-9,11-18,25-27,36,54H,6-7,10,19-24,28-30H2,1-3H3/t36-/m0/s1
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n/an/a 45n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177826
PNG
(US9120791, Example 45 | US9603854, 45)
Show SMILES CN1CC2(CC2)c2cc(ccc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H48ClN5O4/c1-49-30-47(17-18-47)41-26-35(12-16-43(41)49)53(34-10-13-37(54)14-11-34)46(56)40-27-44(51-19-5-4-8-42(40)51)39-25-33(48)9-15-38(39)45(55)52-28-32-7-3-2-6-31(32)24-36(52)29-50-20-22-57-23-21-50/h2-3,6-7,9-16,25-27,36,54H,4-5,8,17-24,28-30H2,1H3/t36-/m0/s1
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n/an/a 47n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177790
PNG
(US9120791, Example 5 | US9603854, 5)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C44H41F3N4O7/c45-44(46,47)58-34-14-10-31(11-15-34)51(30-8-12-33(52)13-9-30)43(54)37-22-39(49-16-4-3-7-38(37)49)35-23-40-41(57-27-56-40)24-36(35)42(53)50-25-29-6-2-1-5-28(29)21-32(50)26-48-17-19-55-20-18-48/h1-2,5-6,8-15,22-24,32,52H,3-4,7,16-21,25-27H2/t32-/m0/s1
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n/an/a 51n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177828
PNG
(US9120791, Example 47 | US9603854, 47)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(F)(F)F)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H44F3N5O4/c1-50-19-17-31-25-35(12-16-41(31)50)54(34-10-13-37(55)14-11-34)45(57)40-27-43(52-18-5-4-8-42(40)52)39-26-33(46(47,48)49)9-15-38(39)44(56)53-28-32-7-3-2-6-30(32)24-36(53)29-51-20-22-58-23-21-51/h2-3,6-7,9-17,19,25-27,36,55H,4-5,8,18,20-24,28-29H2,1H3/t36-/m0/s1
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n/an/a 58n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177799
PNG
(US9120791, Example 17 | US9603854, 17)
Show SMILES C[C@H]1COC[C@H](C)N1C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2OCOc2cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C48H49N5O6/c1-30-27-57-28-31(2)51(30)26-37-20-32-8-4-5-9-34(32)25-52(37)47(55)40-24-46-45(58-29-59-46)23-39(40)44-22-41(43-10-6-7-18-50(43)44)48(56)53(35-11-14-38(54)15-12-35)36-13-16-42-33(21-36)17-19-49(42)3/h4-5,8-9,11-17,19,21-24,30-31,37,54H,6-7,10,18,20,25-29H2,1-3H3/t30-,31-,37-/m0/s1
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n/an/a 81n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177824
PNG
(US9120791, Example 43 | US9603854, 43)
Show SMILES CN1CCc2cc(ccc12)N(C(=O)c1cc(c2CCCCn12)-c1cc(Cl)ccc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1)c1ccc(O)cc1
Show InChI InChI=1S/C45H46ClN5O4/c1-47-19-17-31-25-35(12-16-41(31)47)51(34-10-13-37(52)14-11-34)45(54)43-27-40(42-8-4-5-18-49(42)43)39-26-33(46)9-15-38(39)44(53)50-28-32-7-3-2-6-30(32)24-36(50)29-48-20-22-55-23-21-48/h2-3,6-7,9-16,25-27,36,52H,4-5,8,17-24,28-29H2,1H3/t36-/m0/s1
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n/an/a 110n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177829
PNG
(US9120791, Example 48 | US9603854, 50)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc(OC(F)(F)F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C46H44F3N5O5/c1-50-19-17-31-25-34(11-16-41(31)50)54(33-9-12-36(55)13-10-33)45(57)40-27-43(52-18-5-4-8-42(40)52)39-26-37(59-46(47,48)49)14-15-38(39)44(56)53-28-32-7-3-2-6-30(32)24-35(53)29-51-20-22-58-23-21-51/h2-3,6-7,9-17,19,25-27,35,55H,4-5,8,18,20-24,28-29H2,1H3/t35-/m0/s1
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n/an/a 130n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177834
PNG
(US9120791, Example 53 | US9603854, 53)
Show SMILES COc1ccc(cc1C(F)(F)F)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H42ClF3N4O5/c1-56-41-16-12-32(24-38(41)44(46,47)48)52(31-10-13-34(53)14-11-31)43(55)37-25-40(50-17-5-4-8-39(37)50)36-23-30(45)9-15-35(36)42(54)51-26-29-7-3-2-6-28(29)22-33(51)27-49-18-20-57-21-19-49/h2-3,6-7,9-16,23-25,33,53H,4-5,8,17-22,26-27H2,1H3/t33-/m0/s1
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n/an/a 180n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177835
PNG
(US9120791, Example 54 | US9603854, 54)
Show SMILES CSc1ccc(cc1C(F)(F)F)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C44H42ClF3N4O4S/c1-57-41-16-12-32(24-38(41)44(46,47)48)52(31-10-13-34(53)14-11-31)43(55)37-25-40(50-17-5-4-8-39(37)50)36-23-30(45)9-15-35(36)42(54)51-26-29-7-3-2-6-28(29)22-33(51)27-49-18-20-56-21-19-49/h2-3,6-7,9-16,23-25,33,53H,4-5,8,17-22,26-27H2,1H3/t33-/m0/s1
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n/an/a 180n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))		BDBM177852
PNG
(US9120791, Example 72 | US9603854, 72)
Show SMILES Cn1ccc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCN(Cc12)C(=O)OC(C)(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C50H52N6O8/c1-50(2,3)64-49(60)53-17-18-54-43(25-41(44(54)30-53)48(59)56(35-9-12-38(57)13-10-35)36-11-14-42-33(24-36)15-16-51(42)4)39-26-45-46(63-31-62-45)27-40(39)47(58)55-28-34-8-6-5-7-32(34)23-37(55)29-52-19-21-61-22-20-52/h5-16,24-27,37,57H,17-23,28-31H2,1-4H3/t37-/m0/s1
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n/an/a 220n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...

US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%