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55 similar compounds to monomer 161571

Compile data set for download or QSAR
Wt: 679.2
BDBM161494
Wt: 662.7
BDBM161535
Wt: 674.7
BDBM161493
Wt: 703.2
BDBM161554
Wt: 675.2
BDBM161487
Wt: 693.2
BDBM161502
Wt: 693.2
BDBM161503
Wt: 729.2
BDBM161538
Wt: 742.3
BDBM161553
Wt: 734.2
BDBM161558
Wt: 701.2
BDBM161556
Wt: 734.2
BDBM161557
Wt: 705.2
BDBM161559
Wt: 715.2
BDBM161562
Wt: 721.2
BDBM161560
Displayed 1 to 15 (of 55 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 161494,161535,161493,161554,161487,161502,161503,161538,161553,161558,161556,161557,161559,161562,161560   
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))
BDBM161487
PNG
(US9108983, Example 17)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C40H39ClN4O4/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 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, 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 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))
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))
BDBM161502
PNG
(US9108983, Example 33)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C40H38ClFN4O4/c1-26-36(40(49)46(31-10-8-30(42)9-11-31)32-12-14-34(47)15-13-32)23-38(43(26)2)37-22-29(41)7-16-35(37)39(48)45-24-28-6-4-3-5-27(28)21-33(45)25-44-17-19-50-20-18-44/h3-16,22-23,33,47H,17-21,24-25H2,1-2H3/t33-/m0/s1
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n/an/a 10.9n/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, 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))
BDBM161503
PNG
(US9108983, Example 34)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cccc(F)c1
Show InChI InChI=1S/C40H38ClFN4O4/c1-26-36(40(49)46(31-11-13-34(47)14-12-31)32-9-5-8-30(42)22-32)23-38(43(26)2)37-21-29(41)10-15-35(37)39(48)45-24-28-7-4-3-6-27(28)20-33(45)25-44-16-18-50-19-17-44/h3-15,21-23,33,47H,16-20,24-25H2,1-2H3/t33-/m0/s1
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n/an/a 8.20n/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))
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



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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))
BDBM161538
PNG
(US9108983, Example 74)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cnc2n(C)ccc2c1
Show InChI InChI=1S/C42H41ClN6O4/c1-27-37(42(52)49(32-9-11-35(50)12-10-32)33-21-29-14-15-45(2)40(29)44-24-33)23-39(46(27)3)38-22-31(43)8-13-36(38)41(51)48-25-30-7-5-4-6-28(30)20-34(48)26-47-16-18-53-19-17-47/h4-15,21-24,34,50H,16-20,25-26H2,1-3H3/t34-/m0/s1
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n/an/a 6.10n/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))
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



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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))
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))
BDBM161556
PNG
(US9108983, Example 110)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cc(ccn1)C#N
Show InChI InChI=1S/C40H37ClN6O4/c1-26-35(40(50)47(31-8-10-33(48)11-9-31)38-19-27(23-42)13-14-43-38)22-37(44(26)2)36-21-30(41)7-12-34(36)39(49)46-24-29-6-4-3-5-28(29)20-32(46)25-45-15-17-51-18-16-45/h3-14,19,21-22,32,48H,15-18,20,24-25H2,1-2H3/t32-/m0/s1
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n/an/a 8.5n/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))
BDBM161557
PNG
(US9108983, Example 115)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN3CCOC[C@@H]3C2)n1C)C(=O)N(c1cnn(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C41H44ClN7O4/c1-27-37(41(52)49(33-21-43-44(2)23-33)31-9-11-35(50)12-10-31)20-39(45(27)3)38-19-30(42)8-13-36(38)40(51)48-22-29-7-5-4-6-28(29)18-32(48)24-46-14-15-47-16-17-53-26-34(47)25-46/h4-13,19-21,23,32,34,50H,14-18,22,24-26H2,1-3H3/t32-,34-/m0/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))
BDBM161558
PNG
(US9108983, Example 116)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN3CCOC[C@H]3C2)n1C)C(=O)N(c1cnn(C)c1)c1ccc(O)cc1
Show InChI InChI=1S/C41H44ClN7O4/c1-27-37(41(52)49(33-21-43-44(2)23-33)31-9-11-35(50)12-10-31)20-39(45(27)3)38-19-30(42)8-13-36(38)40(51)48-22-29-7-5-4-6-28(29)18-32(48)24-46-14-15-47-16-17-53-26-34(47)25-46/h4-13,19-21,23,32,34,50H,14-18,22,24-26H2,1-3H3/t32-,34+/m0/s1
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n/an/a 3.40n/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))
BDBM161559
PNG
(US9108983, Example 122)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(c1)C1CC1)c1ccc(O)cc1
Show InChI InChI=1S/C40H41ClN6O4/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 3.40n/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))
BDBM161560
PNG
(US9108983, Example 126)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(c1)C1COC1)c1ccc(O)cc1
Show InChI InChI=1S/C40H41ClN6O5/c1-26-36(40(50)47(30-8-10-34(48)11-9-30)32-20-42-46(23-32)33-24-52-25-33)19-38(43(26)2)37-18-29(41)7-12-35(37)39(49)45-21-28-6-4-3-5-27(28)17-31(45)22-44-13-15-51-16-14-44/h3-12,18-20,23,31,33,48H,13-17,21-22,24-25H2,1-2H3/t31-/m0/s1
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n/an/a 4.20n/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))
BDBM161562
PNG
(US9108983, Example 129)
Show SMILES CN1CCc2cc(cnc12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccccc1
Show InChI InChI=1S/C42H43ClN6O3/c1-28-37(42(51)49(33-11-5-4-6-12-33)34-22-30-15-16-45(2)40(30)44-25-34)24-39(46(28)3)38-23-32(43)13-14-36(38)41(50)48-26-31-10-8-7-9-29(31)21-35(48)27-47-17-19-52-20-18-47/h4-14,22-25,35H,15-21,26-27H2,1-3H3/t35-/m0/s1
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n/an/a 18.1n/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))
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 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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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