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40 similar compounds to monomer 161536

Compile data set for download or QSAR
Wt: 702.7
BDBM161490
Wt: 633.6
BDBM161492
Wt: 679.2
BDBM161494
Wt: 662.7
BDBM161535
Wt: 718.8
BDBM161587
Wt: 594.1
BDBM161473
Wt: 646.7
BDBM161495
Wt: 674.7
BDBM161493
Wt: 660.7
BDBM161496
Wt: 632.7
BDBM161499
Wt: 589.6
BDBM161500
Wt: 603.6
BDBM161508
Wt: 688.7
BDBM161516
Wt: 607.6
BDBM161531
Wt: 688.7
BDBM161542
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 161490,161492,161494,161535,161587,161473,161495,161493,161496,161499,161500,161508,161516,161531,161542   
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))
BDBM161473
PNG
(US9108983, Example 1)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C34H32ClN5O3/c1-21-15-23-7-5-6-8-24(23)19-39(21)33(42)29-14-9-25(35)16-31(29)32-17-30(22(2)38(32)4)34(43)40(27-18-36-37(3)20-27)26-10-12-28(41)13-11-26/h5-14,16-18,20-21,41H,15,19H2,1-4H3/t21-/m1/s1
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US Patent
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, 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))
BDBM161492
PNG
(US9108983, Example 23)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2OCOc2cc1-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(C)n1CCO
Show InChI InChI=1S/C36H35N5O6/c1-22-14-24-6-4-5-7-25(24)19-40(22)35(44)31-17-34-33(46-21-47-34)16-30(31)32-15-29(23(2)39(32)12-13-42)36(45)41(27-18-37-38(3)20-27)26-8-10-28(43)11-9-26/h4-11,15-18,20,22,42-43H,12-14,19,21H2,1-3H3/t22-/m1/s1
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n/an/a 3.60n/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))
BDBM161493
PNG
(US9108983, Example 24)
Show SMILES COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C39H42N6O5/c1-26-35(39(48)45(31-22-40-41(2)24-31)29-9-11-32(46)12-10-29)21-37(42(26)3)36-20-33(49-4)13-14-34(36)38(47)44-23-28-8-6-5-7-27(28)19-30(44)25-43-15-17-50-18-16-43/h5-14,20-22,24,30,46H,15-19,23,25H2,1-4H3/t30-/m0/s1
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n/an/a 6.20n/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))
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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n/an/a 4n/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))
BDBM161495
PNG
(US9108983, Example 26)
Show SMILES CNCCn1c(C)c(cc1-c1cc2OCOc2cc1C(=O)N1Cc2ccccc2C[C@H]1C)C(=O)N(c1cnn(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C37H38N6O5/c1-23-15-25-7-5-6-8-26(25)20-42(23)36(45)32-18-35-34(47-22-48-35)17-31(32)33-16-30(24(2)41(33)14-13-38-3)37(46)43(28-19-39-40(4)21-28)27-9-11-29(44)12-10-27/h5-12,16-19,21,23,38,44H,13-15,20,22H2,1-4H3/t23-/m1/s1
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n/an/a 4.10n/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))
BDBM161496
PNG
(US9108983, Example 27)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2OCOc2cc1-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(C)n1CCN(C)C
Show InChI InChI=1S/C38H40N6O5/c1-24-16-26-8-6-7-9-27(26)21-43(24)37(46)33-19-36-35(48-23-49-36)18-32(33)34-17-31(25(2)42(34)15-14-40(3)4)38(47)44(29-20-39-41(5)22-29)28-10-12-30(45)13-11-28/h6-13,17-20,22,24,45H,14-16,21,23H2,1-5H3/t24-/m1/s1
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n/an/a 5.20n/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))
BDBM161499
PNG
(US9108983, Example 30)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2OCOc2cc1-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(C)n1CCN
Show InChI InChI=1S/C36H36N6O5/c1-22-14-24-6-4-5-7-25(24)19-41(22)35(44)31-17-34-33(46-21-47-34)16-30(31)32-15-29(23(2)40(32)13-12-37)36(45)42(27-18-38-39(3)20-27)26-8-10-28(43)11-9-26/h4-11,15-18,20,22,43H,12-14,19,21,37H2,1-3H3/t22-/m1/s1
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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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161500
PNG
(US9108983, Example 31)
Show SMILES COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)c(c1)-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C35H35N5O4/c1-22-16-24-8-6-7-9-25(24)20-39(22)34(42)30-15-14-29(44-5)17-32(30)33-18-31(23(2)38(33)4)35(43)40(27-19-36-37(3)21-27)26-10-12-28(41)13-11-26/h6-15,17-19,21-22,41H,16,20H2,1-5H3/t22-/m1/s1
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n/an/a 7.20n/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))
BDBM161508
PNG
(US9108983, Example 39)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2OCOc2cc1-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C35H33N5O5/c1-21-13-23-7-5-6-8-24(23)18-39(21)34(42)30-16-33-32(44-20-45-33)15-29(30)31-14-28(22(2)38(31)4)35(43)40(26-17-36-37(3)19-26)25-9-11-27(41)12-10-25/h5-12,14-17,19,21,41H,13,18,20H2,1-4H3/t21-/m1/s1
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n/an/a 7.20n/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))
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))
BDBM161542
PNG
(US9108983, Example 82)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2OCOc2cc1-c1cc(C(=O)N(c2cnn(C)c2)c2ccc(O)cc2)c(CN2CCOCC2)n1C
Show InChI InChI=1S/C39H40N6O6/c1-25-16-26-6-4-5-7-27(26)21-44(25)38(47)32-19-37-36(50-24-51-37)18-31(32)34-17-33(35(42(34)3)23-43-12-14-49-15-13-43)39(48)45(29-20-40-41(2)22-29)28-8-10-30(46)11-9-28/h4-11,17-20,22,25,46H,12-16,21,23-24H2,1-3H3/t25-/m1/s1
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n/an/a 19.5n/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))
BDBM161587
PNG
(US9108983, Example 402 | US9108983, Example 403)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(c1)[C@H]1CCOC1)c1ccc(O)cc1
Show InChI InChI=1S/C41H43FN6O5/c1-27-37(41(51)48(31-8-10-35(49)11-9-31)34-22-43-47(25-34)32-13-16-53-26-32)21-39(44(27)2)38-20-30(42)7-12-36(38)40(50)46-23-29-6-4-3-5-28(29)19-33(46)24-45-14-17-52-18-15-45/h3-12,20-22,25,32-33,49H,13-19,23-24,26H2,1-2H3/t32-,33-/m0/s1
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n/an/a 26.1n/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))
BDBM161587
PNG
(US9108983, Example 402 | US9108983, Example 403)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(c1)[C@H]1CCOC1)c1ccc(O)cc1
Show InChI InChI=1S/C41H43FN6O5/c1-27-37(41(51)48(31-8-10-35(49)11-9-31)34-22-43-47(25-34)32-13-16-53-26-32)21-39(44(27)2)38-20-30(42)7-12-36(38)40(50)46-23-29-6-4-3-5-28(29)19-33(46)24-45-14-17-52-18-15-45/h3-12,20-22,25,32-33,49H,13-19,23-24,26H2,1-2H3/t32-,33-/m0/s1
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n/an/a 24.2n/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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
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