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Compile Data Set for Download or QSAR

Found 660 hits with Last Name = 'nyerges' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354621
PNG
(3-(6-{4-[(4-Hydroxyphenyl)(methyl)carbamoyl]-1,5-d...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(C)CC2)C(=O)Oc2cccc(c2)C(O)=O)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H50N6O7/c1-30-40(44(55)50(4)36-12-14-38(54)15-13-36)26-43(49(30)3)41-24-32-16-17-52(47(59)60-39-11-7-10-33(23-39)46(57)58)27-35(32)25-42(41)45(56)53-28-34-9-6-5-8-31(34)22-37(53)29-51-20-18-48(2)19-21-51/h5-15,23-26,37,54H,16-22,27-29H2,1-4H3,(H,57,58)/t37-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161571
PNG
(US9108983, Example 386 | US9108983, Example 449)
Show SMILES Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C41H41ClN6O4/c1-26-36(41(51)48(31-10-12-34(49)13-11-31)38-21-32(23-43)44(3)27(38)2)22-39(45(26)4)37-20-30(42)9-14-35(37)40(50)47-24-29-8-6-5-7-28(29)19-33(47)25-46-15-17-52-18-16-46/h5-14,20-22,33,49H,15-19,24-25H2,1-4H3/t33-/m0/s1
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n/an/a 1.70n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354602
PNG
(4-[2-(Dimethylamino)ethoxy]phenyl 6-{4-[(4-hydroxy...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C45H49N5O6/c1-29-23-31-9-7-8-10-33(31)28-50(29)44(53)41-25-34-27-49(45(54)56-38-17-15-37(16-18-38)55-22-21-46(3)4)20-19-32(34)24-40(41)42-26-39(30(2)47(42)5)43(52)48(6)35-11-13-36(51)14-12-35/h7-18,24-26,29,51H,19-23,27-28H2,1-6H3/t29-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161636
PNG
(US9108983, Example 455)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2cc(C#N)n(CCN3CCOCC3)c2C)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C42H43ClN6O4/c1-27-21-30-7-5-6-8-31(30)26-48(27)41(51)36-14-9-32(43)22-38(36)40-24-37(28(2)45(40)4)42(52)49(33-10-12-35(50)13-11-33)39-23-34(25-44)47(29(39)3)16-15-46-17-19-53-20-18-46/h5-14,22-24,27,50H,15-21,26H2,1-4H3/t27-/m1/s1
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n/an/a 1.90n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM60412
PNG
(US9108983, 445)
Show SMILES CN1C=CC2N=CC(=CC12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C42H43ClN6O4/c1-27-36(42(52)49(31-9-11-34(50)12-10-31)32-22-40-38(44-24-32)14-15-45(40)2)23-39(46(27)3)37-21-30(43)8-13-35(37)41(51)48-25-29-7-5-4-6-28(29)20-33(48)26-47-16-18-53-19-17-47/h4-15,21-24,33,38,40,50H,16-20,25-26H2,1-3H3/t33-,38?,40?/m0/s1
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n/an/a 2n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161553
PNG
(US9108983, Example 102)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3cnc4n(C)ccc4c3)c(C)n2C)CC1
Show InChI InChI=1S/C43H44ClN7O3/c1-28-38(43(54)51(33-10-12-36(52)13-11-33)34-22-30-15-16-47(3)41(30)45-25-34)24-40(48(28)4)39-23-32(44)9-14-37(39)42(53)50-26-31-8-6-5-7-29(31)21-35(50)27-49-19-17-46(2)18-20-49/h5-16,22-25,35,52H,17-21,26-27H2,1-4H3/t35-/m0/s1
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n/an/a 2n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354597
PNG
(2-[2-(Dimethylamino)ethoxy]phenyl 6-{4-[(4-hydroxy...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccccc1OCCN(C)C
Show InChI InChI=1S/C45H49N5O6/c1-29-23-31-11-7-8-12-33(31)28-50(29)44(53)39-25-34-27-49(45(54)56-42-14-10-9-13-41(42)55-22-21-46(3)4)20-19-32(34)24-38(39)40-26-37(30(2)47(40)5)43(52)48(6)35-15-17-36(51)18-16-35/h7-18,24-26,29,51H,19-23,27-28H2,1-6H3/t29-/m1/s1
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n/an/a 2n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354648
PNG
((1r,4r)-4-{[(tert-Butoxy)carbonyl]amino}cyclohexyl...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)O[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C46H55N5O7/c1-28-22-30-10-8-9-11-32(30)27-51(28)43(54)40-24-33-26-50(45(56)57-37-18-12-34(13-19-37)47-44(55)58-46(3,4)5)21-20-31(33)23-39(40)41-25-38(29(2)48(41)6)42(53)49(7)35-14-16-36(52)17-15-35/h8-11,14-17,23-25,28,34,37,52H,12-13,18-22,26-27H2,1-7H3,(H,47,55)/t28-,34-,37-/m1/s1
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n/an/a 2n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161536
PNG
(US9108983, Example 68)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc(O)c(F)cc1-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C34H32FN5O4/c1-20-13-22-7-5-6-8-23(22)18-39(20)33(43)29-16-32(42)30(35)14-28(29)31-15-27(21(2)38(31)4)34(44)40(25-17-36-37(3)19-25)24-9-11-26(41)12-10-24/h5-12,14-17,19-20,41-42H,13,18H2,1-4H3/t20-/m1/s1
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n/an/a 2.10n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161578
PNG
(US9108983, Example 393)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cnc2n(C)ccc2c1
Show InChI InChI=1S/C44H45ClN6O4/c1-29-39(44(54)51(34-11-13-37(52)14-12-34)36-24-31-16-18-47(2)42(31)46-27-36)26-41(48(29)3)40-25-33(45)10-15-38(40)43(53)50-28-32-8-5-4-7-30(32)23-35(50)9-6-17-49-19-21-55-22-20-49/h4-5,7-8,10-16,18,24-27,35,52H,6,9,17,19-23,28H2,1-3H3/t35-/m1/s1
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n/an/a 2.10n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161610
PNG
(US9108983, Example 427)
Show SMILES COc1ccc(cc1C#N)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C42H40FN5O5/c1-27-37(42(51)48(32-9-12-35(49)13-10-32)33-11-15-40(52-3)30(21-33)24-44)23-39(45(27)2)38-22-31(43)8-14-36(38)41(50)47-25-29-7-5-4-6-28(29)20-34(47)26-46-16-18-53-19-17-46/h4-15,21-23,34,49H,16-20,25-26H2,1-3H3/t34-/m0/s1
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n/an/a 2.20n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354624
PNG
(3-[2-(Dimethylcarbamoyl)ethyl]phenyl 6-{4-[(4-hydr...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1cccc(CCC(=O)N(C)C)c1
Show InChI InChI=1S/C46H49N5O6/c1-29-22-32-11-7-8-12-34(32)28-51(29)45(55)41-25-35-27-50(46(56)57-38-13-9-10-31(23-38)14-19-43(53)47(3)4)21-20-33(35)24-40(41)42-26-39(30(2)48(42)5)44(54)49(6)36-15-17-37(52)18-16-36/h7-13,15-18,23-26,29,52H,14,19-22,27-28H2,1-6H3/t29-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354619
PNG
(3-(6-{4-[(4-Hydroxyphenyl)(methyl)carbamoyl]-1,5-d...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1cccc(c1)C(O)=O
Show InChI InChI=1S/C42H40N4O7/c1-25-18-27-8-5-6-9-30(27)24-46(25)40(49)37-21-31-23-45(42(52)53-34-11-7-10-29(19-34)41(50)51)17-16-28(31)20-36(37)38-22-35(26(2)43(38)3)39(48)44(4)32-12-14-33(47)15-13-32/h5-15,19-22,25,47H,16-18,23-24H2,1-4H3,(H,50,51)/t25-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354593
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CCN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C46H49N5O6/c1-31-40(44(53)48(3)36-13-15-38(52)16-14-36)28-43(47(31)2)41-26-33-17-20-50(46(55)57-39-11-5-4-6-12-39)29-35(33)27-42(41)45(54)51-30-34-10-8-7-9-32(34)25-37(51)18-19-49-21-23-56-24-22-49/h4-16,26-28,37,52H,17-25,29-30H2,1-3H3/t37-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354623
PNG
(2-[2-(Dimethylcarbamoyl)ethyl]phenyl 6-{4-[(4-hydr...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccccc1CCC(=O)N(C)C
Show InChI InChI=1S/C46H49N5O6/c1-29-23-32-12-7-8-13-34(32)28-51(29)45(55)40-25-35-27-50(46(56)57-42-14-10-9-11-31(42)15-20-43(53)47(3)4)22-21-33(35)24-39(40)41-26-38(30(2)48(41)5)44(54)49(6)36-16-18-37(52)19-17-36/h7-14,16-19,24-26,29,52H,15,20-23,27-28H2,1-6H3/t29-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161554
PNG
(US9108983, Example 108 | US9108983, Example 448)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cc(C#N)n(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C40H39ClN6O4/c1-26-36(40(50)47(30-9-11-34(48)12-10-30)33-20-31(22-42)43(2)24-33)21-38(44(26)3)37-19-29(41)8-13-35(37)39(49)46-23-28-7-5-4-6-27(28)18-32(46)25-45-14-16-51-17-15-45/h4-13,19-21,24,32,48H,14-18,23,25H2,1-3H3/t32-/m0/s1
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n/an/a 2.40n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM352978
PNG
(3-{2-[2-(4-Cyanophenyl)acetyl]-7-[(3R)-3-methyl-1,...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c2CCCCn12)C(=O)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C45H43N5O4/c1-29-21-32-7-3-4-8-34(32)28-50(29)45(54)39-24-35-27-48(43(52)22-30-10-12-31(26-46)13-11-30)20-18-33(35)23-38(39)42-25-40(41-9-5-6-19-49(41)42)44(53)47(2)36-14-16-37(51)17-15-36/h3-4,7-8,10-17,23-25,29,51H,5-6,9,18-22,27-28H2,1-2H3/t29-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161604
PNG
(US9108983, Example 421)
Show SMILES Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C41H41FN6O4/c1-26-36(41(51)48(31-10-12-34(49)13-11-31)38-21-32(23-43)44(3)27(38)2)22-39(45(26)4)37-20-30(42)9-14-35(37)40(50)47-24-29-8-6-5-7-28(29)19-33(47)25-46-15-17-52-18-16-46/h5-14,20-22,33,49H,15-19,24-25H2,1-4H3/t33-/m0/s1
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n/an/a 2.5n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161579
PNG
(US9108983, Example 394)
Show SMILES CN1CCc2cc(cnc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C44H47ClN6O4/c1-29-39(44(54)51(34-11-13-37(52)14-12-34)36-24-31-16-18-47(2)42(31)46-27-36)26-41(48(29)3)40-25-33(45)10-15-38(40)43(53)50-28-32-8-5-4-7-30(32)23-35(50)9-6-17-49-19-21-55-22-20-49/h4-5,7-8,10-15,24-27,35,52H,6,9,16-23,28H2,1-3H3/t35-/m1/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354588
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(propyl)carbamoyl]-1...)
Show SMILES CCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H51N5O6/c1-4-19-51(37-14-16-39(53)17-15-37)45(54)41-28-44(48(3)32(41)2)42-26-34-18-20-50(47(56)58-40-12-6-5-7-13-40)29-36(34)27-43(42)46(55)52-30-35-11-9-8-10-33(35)25-38(52)31-49-21-23-57-24-22-49/h5-17,26-28,38,53H,4,18-25,29-31H2,1-3H3/t38-/m0/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM353042
PNG
(N,1,2-trimethyl-5-{7-[(3S)-3-(morpholin-4-ylmethyl...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccccc1
Show InChI InChI=1S/C46H49N5O4/c1-32-40(45(53)48(3)38-16-8-5-9-17-38)28-43(47(32)2)41-26-35-18-19-50(44(52)24-33-12-6-4-7-13-33)29-37(35)27-42(41)46(54)51-30-36-15-11-10-14-34(36)25-39(51)31-49-20-22-55-23-21-49/h4-17,26-28,39H,18-25,29-31H2,1-3H3/t39-/m0/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM353045
PNG
(4-Fluorophenyl 6-{1-[(4-hydroxyphenyl)(methyl)carb...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(F)cc2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H48FN5O6/c1-49(36-11-13-38(54)14-12-36)45(55)42-27-44(52-18-5-4-8-43(42)52)40-25-32-17-19-51(47(57)59-39-15-9-35(48)10-16-39)28-34(32)26-41(40)46(56)53-29-33-7-3-2-6-31(33)24-37(53)30-50-20-22-58-23-21-50/h2-3,6-7,9-16,25-27,37,54H,4-5,8,17-24,28-30H2,1H3/t37-/m0/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354612
PNG
(4-Methylphenyl 6-{1,5-dimethyl-4-[methyl(phenyl)ca...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(C)cc2)n(C)c1C)c1ccccc1
Show InChI InChI=1S/C46H49N5O5/c1-31-14-16-39(17-15-31)56-46(54)50-19-18-34-25-41(43-27-40(32(2)47(43)3)44(52)48(4)37-12-6-5-7-13-37)42(26-36(34)28-50)45(53)51-29-35-11-9-8-10-33(35)24-38(51)30-49-20-22-55-23-21-49/h5-17,25-27,38H,18-24,28-30H2,1-4H3/t38-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161639
PNG
(US9108983, Example 459)
Show SMILES CCn1c(C)c(cc1C#N)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C42H43ClN6O4/c1-5-47-28(3)39(22-33(47)24-44)49(32-11-13-35(50)14-12-32)42(52)37-23-40(45(4)27(37)2)38-21-31(43)10-15-36(38)41(51)48-25-30-9-7-6-8-29(30)20-34(48)26-46-16-18-53-19-17-46/h6-15,21-23,34,50H,5,16-20,25-26H2,1-4H3/t34-/m0/s1
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n/an/a 2.5n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354629
PNG
(N-(4-Hydroxyphenyl)-1,2-dimethyl-5-{7-[(3S)-3-(mor...)
Show SMILES CCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C48H53N5O5/c1-4-19-52(39-14-16-41(54)17-15-39)47(56)42-29-45(49(3)33(42)2)43-27-36-18-20-51(46(55)25-34-10-6-5-7-11-34)30-38(36)28-44(43)48(57)53-31-37-13-9-8-12-35(37)26-40(53)32-50-21-23-58-24-22-50/h5-17,27-29,40,54H,4,18-26,30-32H2,1-3H3/t40-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM353047
PNG
(4-Chlorophenyl 6-{1-[(4-hydroxyphenyl)(methyl)carb...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(Cl)cc2)n2CCCCc12)c1ccc(O)cc1
Show InChI InChI=1S/C47H48ClN5O6/c1-49(36-11-13-38(54)14-12-36)45(55)42-27-44(52-18-5-4-8-43(42)52)40-25-32-17-19-51(47(57)59-39-15-9-35(48)10-16-39)28-34(32)26-41(40)46(56)53-29-33-7-3-2-6-31(33)24-37(53)30-50-20-22-58-23-21-50/h2-3,6-7,9-16,25-27,37,54H,4-5,8,17-24,28-30H2,1H3/t37-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161616
PNG
(US9108983, Example 433)
Show SMILES Cc1c(cc(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cc(C#N)n(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C40H40N6O4/c1-27-37(40(49)46(30-12-14-34(47)15-13-30)33-21-31(23-41)42(2)25-33)22-38(43(27)3)35-10-6-7-11-36(35)39(48)45-24-29-9-5-4-8-28(29)20-32(45)26-44-16-18-50-19-17-44/h4-15,21-22,25,32,47H,16-20,24,26H2,1-3H3/t32-/m0/s1
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n/an/a 2.60n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM353026
PNG
(N-(4-Hydroxyphenyl)-5-{2-[2-(4-methoxyphenyl)acety...)
Show SMILES COc1ccc(CC(=O)N2Cc3cc(C(=O)N4Cc5ccccc5C[C@H]4C)c(cc3C2)-c2cc(C(=O)N(C)c3ccc(O)cc3)c(C)n2C)cc1
Show InChI InChI=1S/C42H42N4O5/c1-26-18-29-8-6-7-9-30(29)25-46(26)42(50)38-21-32-24-45(40(48)19-28-10-16-35(51-5)17-11-28)23-31(32)20-37(38)39-22-36(27(2)43(39)3)41(49)44(4)33-12-14-34(47)15-13-33/h6-17,20-22,26,47H,18-19,23-25H2,1-5H3/t26-/m1/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161571
PNG
(US9108983, Example 386 | US9108983, Example 449)
Show SMILES Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C41H41ClN6O4/c1-26-36(41(51)48(31-10-12-34(49)13-11-31)38-21-32(23-43)44(3)27(38)2)22-39(45(26)4)37-20-30(42)9-14-35(37)40(50)47-24-29-8-6-5-7-28(29)19-33(47)25-46-15-17-52-18-16-46/h5-14,20-22,33,49H,15-19,24-25H2,1-4H3/t33-/m0/s1
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n/an/a 2.60n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161623
PNG
(US9108983, Example 440)
Show SMILES COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(cc1F)-c1cc(C(=O)N(c2cc(C#N)n(C)c2C)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C42H43FN6O5/c1-26-34(42(52)49(30-10-12-33(50)13-11-30)38-19-31(23-44)45(3)27(38)2)21-39(46(26)4)35-20-37(43)40(53-5)22-36(35)41(51)48-24-29-9-7-6-8-28(29)18-32(48)25-47-14-16-54-17-15-47/h6-13,19-22,32,50H,14-18,24-25H2,1-5H3/t32-/m0/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354656
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H51N5O6/c1-32-41(45(54)49(3)37-15-17-39(53)18-16-37)29-44(48(32)2)42-27-34-19-21-51(47(56)58-40-13-5-4-6-14-40)30-36(34)28-43(42)46(55)52-31-35-11-8-7-10-33(35)26-38(52)12-9-20-50-22-24-57-25-23-50/h4-8,10-11,13-18,27-29,38,53H,9,12,19-26,30-31H2,1-3H3/t38-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161637
PNG
(US9108983, Example 456)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2cnc(OCCN3CCOCC3)nc2)c(C)n1C
Show InChI InChI=1S/C40H41ClN6O5/c1-26-20-28-6-4-5-7-29(28)25-46(26)38(49)34-13-8-30(41)21-36(34)37-22-35(27(2)44(37)3)39(50)47(31-9-11-33(48)12-10-31)32-23-42-40(43-24-32)52-19-16-45-14-17-51-18-15-45/h4-13,21-24,26,48H,14-20,25H2,1-3H3/t26-/m1/s1
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n/an/a 2.70n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161631
PNG
(US9108983, Example 450)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cc(nn1C)C#N)c1ccc(O)cc1
Show InChI InChI=1S/C39H38ClN7O4/c1-25-34(39(50)47(30-9-11-32(48)12-10-30)37-20-29(22-41)42-44(37)3)21-36(43(25)2)35-19-28(40)8-13-33(35)38(49)46-23-27-7-5-4-6-26(27)18-31(46)24-45-14-16-51-17-15-45/h4-13,19-21,31,48H,14-18,23-24H2,1-3H3/t31-/m0/s1
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n/an/a 2.70n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM353033
PNG
(3-{2-[2-(4-{[2-(Dimethylamino)ethyl]amino}phenyl)a...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c2CCCCn12)C(=O)Cc1ccc(NCCN(C)C)cc1
Show InChI InChI=1S/C48H54N6O4/c1-32-25-34-9-5-6-10-36(34)31-54(32)48(58)42-28-37-30-52(46(56)26-33-12-14-38(15-13-33)49-21-24-50(2)3)23-20-35(37)27-41(42)45-29-43(44-11-7-8-22-53(44)45)47(57)51(4)39-16-18-40(55)19-17-39/h5-6,9-10,12-19,27-29,32,49,55H,7-8,11,20-26,30-31H2,1-4H3/t32-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354649
PNG
((1r,4r)-4-Aminocyclohexyl 6-{4-[(4-hydroxyphenyl)(...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)O[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C41H47N5O5/c1-25-19-27-7-5-6-8-29(27)24-46(25)40(49)37-21-30-23-45(41(50)51-34-15-9-31(42)10-16-34)18-17-28(30)20-36(37)38-22-35(26(2)43(38)3)39(48)44(4)32-11-13-33(47)14-12-32/h5-8,11-14,20-22,25,31,34,47H,9-10,15-19,23-24,42H2,1-4H3/t25-,31-,34-/m1/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354592
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(C)CC2)C(=O)Oc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C46H50N6O5/c1-31-40(44(54)49(4)36-14-16-38(53)17-15-36)27-43(48(31)3)41-25-33-18-19-51(46(56)57-39-12-6-5-7-13-39)28-35(33)26-42(41)45(55)52-29-34-11-9-8-10-32(34)24-37(52)30-50-22-20-47(2)21-23-50/h5-17,25-27,37,53H,18-24,28-30H2,1-4H3/t37-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161602
PNG
(US9108983, Example 419)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C41H38FN5O4/c1-27-37(41(50)47(32-11-13-35(48)14-12-32)33-9-5-6-28(20-33)24-43)23-39(44(27)2)38-22-31(42)10-15-36(38)40(49)46-25-30-8-4-3-7-29(30)21-34(46)26-45-16-18-51-19-17-45/h3-15,20,22-23,34,48H,16-19,21,25-26H2,1-2H3/t34-/m0/s1
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n/an/a 2.80n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354639
PNG
(Cyclohexyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoy...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)OC2CCCCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C45H53N5O6/c1-30-39(43(52)47(3)35-13-15-37(51)16-14-35)26-42(46(30)2)40-24-32-17-18-49(45(54)56-38-11-5-4-6-12-38)27-34(32)25-41(40)44(53)50-28-33-10-8-7-9-31(33)23-36(50)29-48-19-21-55-22-20-48/h7-10,13-16,24-26,36,38,51H,4-6,11-12,17-23,27-29H2,1-3H3/t36-/m0/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354556
PNG
(4-Cyanophenyl 6-{4-[(4-hydroxyphenyl)(methyl)carba...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Oc2ccc(cc2)C#N)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C46H46N6O6/c1-30-40(44(54)49(3)36-10-12-38(53)13-11-36)25-43(48(30)2)41-23-33-16-17-51(46(56)58-39-14-8-31(26-47)9-15-39)27-35(33)24-42(41)45(55)52-28-34-7-5-4-6-32(34)22-37(52)29-50-18-20-57-21-19-50/h4-15,23-25,37,53H,16-22,27-29H2,1-3H3/t37-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161640
PNG
(US9108983, Example 460)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n1C)C(=O)N(c1cnn(c1)C1CCOC1)c1ccc(O)cc1
Show InChI InChI=1S/C43H47ClN6O5/c1-29-39(43(53)50(33-10-12-37(51)13-11-33)36-25-45-49(27-36)35-15-19-55-28-35)24-41(46(29)2)40-23-32(44)9-14-38(40)42(52)48-26-31-7-4-3-6-30(31)22-34(48)8-5-16-47-17-20-54-21-18-47/h3-4,6-7,9-14,23-25,27,34-35,51H,5,8,15-22,26,28H2,1-2H3/t34-,35?/m1/s1
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n/an/a 2.80n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161632
PNG
(US9108983, Example 451)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cnc2n(C)ncc2c1
Show InChI InChI=1S/C41H40FN7O4/c1-26-36(41(52)49(31-9-11-34(50)12-10-31)32-19-29-22-44-46(3)39(29)43-23-32)21-38(45(26)2)37-20-30(42)8-13-35(37)40(51)48-24-28-7-5-4-6-27(28)18-33(48)25-47-14-16-53-17-15-47/h4-13,19-23,33,50H,14-18,24-25H2,1-3H3/t33-/m0/s1
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n/an/a 2.90n/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM353046
PNG
(4-Methoxyphenyl 6-{1-[(4-hydroxyphenyl)(methyl)car...)
Show SMILES COc1ccc(OC(=O)N2CCc3cc(-c4cc(C(=O)N(C)c5ccc(O)cc5)c5CCCCn45)c(cc3C2)C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)cc1
Show InChI InChI=1S/C48H51N5O7/c1-49(36-10-12-38(54)13-11-36)46(55)43-28-45(52-19-6-5-9-44(43)52)41-26-33-18-20-51(48(57)60-40-16-14-39(58-2)15-17-40)29-35(33)27-42(41)47(56)53-30-34-8-4-3-7-32(34)25-37(53)31-50-21-23-59-24-22-50/h3-4,7-8,10-17,26-28,37,54H,5-6,9,18-25,29-31H2,1-2H3/t37-/m0/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354627
PNG
(N-(4-Hydroxyphenyl)-N,1,2-trimethyl-5-{7-[(3S)-3-[...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CCN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H51N5O5/c1-32-41(46(55)49(3)38-13-15-40(53)16-14-38)29-44(48(32)2)42-27-35-17-20-51(45(54)25-33-9-5-4-6-10-33)30-37(35)28-43(42)47(56)52-31-36-12-8-7-11-34(36)26-39(52)18-19-50-21-23-57-24-22-50/h4-16,27-29,39,53H,17-26,30-31H2,1-3H3/t39-/m1/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161494
PNG
(US9108983, Example 25 | US9108983, Example 416)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C38H39ClN6O4/c1-25-34(38(48)45(31-21-40-41(2)23-31)29-9-11-32(46)12-10-29)20-36(42(25)3)35-19-28(39)8-13-33(35)37(47)44-22-27-7-5-4-6-26(27)18-30(44)24-43-14-16-49-17-15-43/h4-13,19-21,23,30,46H,14-18,22,24H2,1-3H3/t30-/m0/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM352993
PNG
(Phenyl 6-{4-[(4-hydroxyphenyl)(methyl)carbamoyl]-1...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccccc1
Show InChI InChI=1S/C41H40N4O5/c1-26-20-28-10-8-9-11-30(28)25-45(26)40(48)37-22-31-24-44(41(49)50-34-12-6-5-7-13-34)19-18-29(31)21-36(37)38-23-35(27(2)42(38)3)39(47)43(4)32-14-16-33(46)17-15-32/h5-17,21-23,26,46H,18-20,24-25H2,1-4H3/t26-/m1/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354598
PNG
(3-[2-(Dimethylamino)ethoxy]phenyl 6-{4-[(4-hydroxy...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1cccc(OCCN(C)C)c1
Show InChI InChI=1S/C45H49N5O6/c1-29-22-31-10-7-8-11-33(31)28-50(29)44(53)41-24-34-27-49(45(54)56-38-13-9-12-37(25-38)55-21-20-46(3)4)19-18-32(34)23-40(41)42-26-39(30(2)47(42)5)43(52)48(6)35-14-16-36(51)17-15-35/h7-17,23-26,29,51H,18-22,27-28H2,1-6H3/t29-/m1/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354594
PNG
(N-Butyl-N-(4-hydroxyphenyl)-1,2-dimethyl-5-{7-[(3S...)
Show SMILES CCCCN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)C(=O)Cc2ccccc2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C49H55N5O5/c1-4-5-20-53(40-15-17-42(55)18-16-40)48(57)43-30-46(50(3)34(43)2)44-28-37-19-21-52(47(56)26-35-11-7-6-8-12-35)31-39(37)29-45(44)49(58)54-32-38-14-10-9-13-36(38)27-41(54)33-51-22-24-59-25-23-51/h6-18,28-30,41,55H,4-5,19-27,31-33H2,1-3H3/t41-/m0/s1
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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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161513
PNG
(US9108983, Example 44)
Show SMILES Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cnc2n(C)ccc2c1
Show InChI InChI=1S/C43H42N6O6/c1-27-35(43(52)49(31-8-10-34(50)11-9-31)32-19-29-12-13-45(2)41(29)44-23-32)20-38(46(27)3)36-21-39-40(55-26-54-39)22-37(36)42(51)48-24-30-7-5-4-6-28(30)18-33(48)25-47-14-16-53-17-15-47/h4-13,19-23,33,50H,14-18,24-26H2,1-3H3/t33-/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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161600
PNG
(US9108983, Example 417)
Show SMILES COc1ccc(-c2cc(C(=O)N(c3cc(C#N)n(C)c3C)c3ccc(O)cc3)c(C)n2C)c(c1)C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1
Show InChI InChI=1S/C42H44N6O5/c1-27-37(42(51)48(31-10-12-34(49)13-11-31)39-21-32(24-43)44(3)28(39)2)23-40(45(27)4)36-15-14-35(52-5)22-38(36)41(50)47-25-30-9-7-6-8-29(30)20-33(47)26-46-16-18-53-19-17-46/h6-15,21-23,33,49H,16-20,25-26H2,1-5H3/t33-/m0/s1
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US Patent
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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161614
PNG
(US9108983, Example 431)
Show SMILES Cc1nn(C)cc1N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C39H41ClN6O4/c1-25-37(24-42(3)41-25)46(30-10-12-32(47)13-11-30)39(49)34-21-36(43(4)26(34)2)35-20-29(40)9-14-33(35)38(48)45-22-28-8-6-5-7-27(28)19-31(45)23-44-15-17-50-18-16-44/h5-14,20-21,24,31,47H,15-19,22-23H2,1-4H3/t31-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
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UniChem

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US Patent
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, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
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