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45 similar compounds to monomer 161623

Compile data set for download or QSAR
Wt: 702.7
BDBM161490
Wt: 662.7
BDBM161535
Wt: 717.2
BDBM161571
Wt: 658.7
BDBM161482
Wt: 703.2
BDBM161554
Wt: 688.7
BDBM161516
Wt: 607.6
BDBM161531
Wt: 593.6
BDBM161536
Wt: 692.7
BDBM161551
Wt: 692.7
BDBM161552
Wt: 742.8
BDBM161564
Wt: 688.7
BDBM161566
Wt: 686.7
BDBM161567
Wt: 744.8
BDBM161565
Wt: 659.7
BDBM161569
Displayed 1 to 15 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 161490,161535,161571,161482,161554,161516,161531,161536,161551,161552,161564,161566,161567,161565,161569   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161482
PNG
(US9108983, Example 10)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C40H39FN4O4/c1-27-36(40(48)45(31-10-4-3-5-11-31)32-13-15-34(46)16-14-32)24-38(42(27)2)37-23-30(41)12-17-35(37)39(47)44-25-29-9-7-6-8-28(29)22-33(44)26-43-18-20-49-21-19-43/h3-17,23-24,33,46H,18-22,25-26H2,1-2H3/t33-/m0/s1
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n/an/a 16.2n/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))
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))
BDBM161516
PNG
(US9108983, Example 47)
Show SMILES Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C39H40N6O6/c1-25-32(39(48)45(30-20-40-41(2)22-30)28-8-10-31(46)11-9-28)17-35(42(25)3)33-18-36-37(51-24-50-36)19-34(33)38(47)44-21-27-7-5-4-6-26(27)16-29(44)23-43-12-14-49-15-13-43/h4-11,17-20,22,29,46H,12-16,21,23-24H2,1-3H3/t29-/m0/s1
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n/an/a 5.90n/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))
BDBM161531
PNG
(US9108983, Example 62)
Show SMILES COc1cc(C(=O)N2Cc3ccccc3C[C@H]2C)c(cc1F)-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C35H34FN5O4/c1-21-14-23-8-6-7-9-24(23)19-40(21)34(43)30-17-33(45-5)31(36)15-29(30)32-16-28(22(2)39(32)4)35(44)41(26-18-37-38(3)20-26)25-10-12-27(42)13-11-25/h6-13,15-18,20-21,42H,14,19H2,1-5H3/t21-/m1/s1
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n/an/a 14.3n/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))
BDBM161535
PNG
(US9108983, Example 420 | US9108983, Example 67)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C38H39FN6O4/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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n/an/a 12.5n/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))
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



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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))
BDBM161551
PNG
(US9108983, Example 100)
Show SMILES COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(cc1F)-c1[nH]c(C)c(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c1C
Show InChI InChI=1S/C39H41FN6O5/c1-24-36(39(49)46(30-20-41-43(3)22-30)28-9-11-31(47)12-10-28)25(2)42-37(24)32-18-34(40)35(50-4)19-33(32)38(48)45-21-27-8-6-5-7-26(27)17-29(45)23-44-13-15-51-16-14-44/h5-12,18-20,22,29,42,47H,13-17,21,23H2,1-4H3/t29-/m0/s1
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n/an/a 22.9n/an/an/an/a7.4n/a



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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))
BDBM161552
PNG
(US9108983, Example 101)
Show SMILES COc1cc(-c2cc(C(=O)N(c3cnn(C)c3)c3ccc(O)cc3)c(C)n2C)c(cc1F)C(=O)N1Cc2ccccc2C[C@H]1CN1CCOCC1
Show InChI InChI=1S/C39H41FN6O5/c1-25-32(39(49)46(30-21-41-42(2)23-30)28-9-11-31(47)12-10-28)19-36(43(25)3)33-20-37(50-4)35(40)18-34(33)38(48)45-22-27-8-6-5-7-26(27)17-29(45)24-44-13-15-51-16-14-44/h5-12,18-21,23,29,47H,13-17,22,24H2,1-4H3/t29-/m0/s1
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n/an/a 21.1n/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))
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 3.90n/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))
BDBM161564
PNG
(US9108983, Example 209)
Show SMILES COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(cc1F)-c1cc(C(=O)N(c2ccc(O)cc2)c2cnc3n(C)ccc3c2)c(C)n1C
Show InChI InChI=1S/C43H43FN6O5/c1-27-35(43(53)50(31-9-11-34(51)12-10-31)32-20-29-13-14-46(2)41(29)45-24-32)22-39(47(27)3)36-21-38(44)40(54-4)23-37(36)42(52)49-25-30-8-6-5-7-28(30)19-33(49)26-48-15-17-55-18-16-48/h5-14,20-24,33,51H,15-19,25-26H2,1-4H3/t33-/m0/s1
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n/an/a 7.40n/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))
BDBM161565
PNG
(US9108983, Example 210)
Show SMILES COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(cc1F)-c1cc(C(=O)N(c2ccc(O)cc2)c2cnc3N(C)CCc3c2)c(C)n1C
Show InChI InChI=1S/C43H45FN6O5/c1-27-35(43(53)50(31-9-11-34(51)12-10-31)32-20-29-13-14-46(2)41(29)45-24-32)22-39(47(27)3)36-21-38(44)40(54-4)23-37(36)42(52)49-25-30-8-6-5-7-28(30)19-33(49)26-48-15-17-55-18-16-48/h5-12,20-24,33,51H,13-19,25-26H2,1-4H3/t33-/m0/s1
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n/an/a 8.80n/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))
BDBM161566
PNG
(US9108983, Example 214)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(c1)C1CC1)c1ccc(O)cc1
Show InChI InChI=1S/C40H41FN6O4/c1-26-36(40(50)47(31-10-12-34(48)13-11-31)33-22-42-46(25-33)30-8-9-30)21-38(43(26)2)37-20-29(41)7-14-35(37)39(49)45-23-28-6-4-3-5-27(28)19-32(45)24-44-15-17-51-18-16-44/h3-7,10-14,20-22,25,30,32,48H,8-9,15-19,23-24H2,1-2H3/t32-/m0/s1
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n/an/a 6.30n/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, 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))
BDBM161567
PNG
(US9108983, Example 230)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cc(C#N)n(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C40H39FN6O4/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 5.10n/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))
BDBM161569
PNG
(US9108983, Example 384)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccncc1)c1ccc(O)cc1
Show InChI InChI=1S/C39H38FN5O4/c1-26-35(39(48)45(31-13-15-41-16-14-31)30-8-10-33(46)11-9-30)23-37(42(26)2)36-22-29(40)7-12-34(36)38(47)44-24-28-6-4-3-5-27(28)21-32(44)25-43-17-19-49-20-18-43/h3-16,22-23,32,46H,17-21,24-25H2,1-2H3/t32-/m0/s1
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n/an/a 9.70n/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))
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))
BDBM161535
PNG
(US9108983, Example 420 | US9108983, Example 67)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C38H39FN6O4/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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n/an/a 6.10n/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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM161490
PNG
(US9108983, Example 21)
Show SMILES Cc1c(cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C40H42N6O6/c1-26-33(40(49)46(31-22-41-42(2)24-31)29-8-10-32(47)11-9-29)19-36(43(26)3)34-20-37-38(52-17-16-51-37)21-35(34)39(48)45-23-28-7-5-4-6-27(28)18-30(45)25-44-12-14-50-15-13-44/h4-11,19-22,24,30,47H,12-18,23,25H2,1-3H3/t30-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.70n/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