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29 similar compounds to monomer 161553

Compile data set for download or QSAR
Wt: 753.3
BDBM161479
Wt: 717.2
BDBM161571
Wt: 727.2
BDBM161477
Wt: 713.2
BDBM161475
Wt: 741.3
BDBM161478
Wt: 675.2
BDBM161487
Wt: 653.7
BDBM161511
Wt: 738.8
BDBM161513
Wt: 772.8
BDBM161523
Wt: 644.1
BDBM161532
Wt: 722.8
BDBM161533
Wt: 751.8
BDBM161537
Wt: 729.2
BDBM161538
Wt: 715.2
BDBM161562
Wt: 742.8
BDBM161564
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 161479,161571,161477,161475,161478,161487,161511,161513,161523,161532,161533,161537,161538,161562,161564   
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))
BDBM161475
PNG
(US9108983, Example 3)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(cn2C)C(=O)N(c2ccc(O)cc2)c2ccc3[nH]ccc3c2)CC1
Show InChI InChI=1S/C42H41ClN6O3/c1-45-17-19-47(20-18-45)27-35-21-28-5-3-4-6-30(28)26-48(35)42(52)37-13-7-32(43)24-38(37)40-23-31(25-46(40)2)41(51)49(33-8-11-36(50)12-9-33)34-10-14-39-29(22-34)15-16-44-39/h3-16,22-25,35,44,50H,17-21,26-27H2,1-2H3/t35-/m0/s1
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US Patent
n/an/a 24.6n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, 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))
BDBM161478
PNG
(US9108983, Example 6)
Show SMILES CCn1cc(cc1-c1cc(Cl)ccc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(C)CC1)C(=O)N(c1ccc(O)cc1)c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C44H45ClN6O3/c1-4-49-27-33(43(53)51(35-10-13-38(52)14-11-35)36-12-16-41-31(24-36)17-18-47(41)3)25-42(49)40-26-34(45)9-15-39(40)44(54)50-28-32-8-6-5-7-30(32)23-37(50)29-48-21-19-46(2)20-22-48/h5-18,24-27,37,52H,4,19-23,28-29H2,1-3H3/t37-/m0/s1
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n/an/a 25.2n/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))
BDBM161479
PNG
(US9108983, Example 7)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(cn2C2CC2)C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)CC1
Show InChI InChI=1S/C45H45ClN6O3/c1-47-19-21-49(22-20-47)29-38-23-30-5-3-4-6-32(30)27-51(38)45(55)40-15-7-34(46)26-41(40)43-25-33(28-50(43)35-8-9-35)44(54)52(36-10-13-39(53)14-11-36)37-12-16-42-31(24-37)17-18-48(42)2/h3-7,10-18,24-26,28,35,38,53H,8-9,19-23,27,29H2,1-2H3/t38-/m0/s1
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n/an/a 25.6n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, 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))
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))
BDBM161511
PNG
(US9108983, Example 42)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2OCOc2cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2cnc3n(C)ccc3c2)c(C)n1C
Show InChI InChI=1S/C39H35N5O5/c1-23-15-25-7-5-6-8-27(25)21-43(23)38(46)33-19-36-35(48-22-49-36)18-32(33)34-17-31(24(2)42(34)4)39(47)44(28-9-11-30(45)12-10-28)29-16-26-13-14-41(3)37(26)40-20-29/h5-14,16-20,23,45H,15,21-22H2,1-4H3/t23-/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))
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))
BDBM161523
PNG
(US9108983, Example 54)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CNC(=O)COc2ccccc2)cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2cnc3n(C)ccc3c2)c(C)n1C
Show InChI InChI=1S/C47H44N6O5/c1-30-22-33-10-8-9-11-35(33)28-52(30)46(56)40-19-14-32(26-48-44(55)29-58-39-12-6-5-7-13-39)23-42(40)43-25-41(31(2)51(43)4)47(57)53(36-15-17-38(54)18-16-36)37-24-34-20-21-50(3)45(34)49-27-37/h5-21,23-25,27,30,54H,22,26,28-29H2,1-4H3,(H,48,55)/t30-/m1/s1
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n/an/a 18n/an/an/an/a7.4n/a



LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, 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))
BDBM161532
PNG
(US9108983, Example 63)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2ccc(O)cc2)c2cnc3n(C)ccc3c2)c(C)n1C
Show InChI InChI=1S/C38H34ClN5O3/c1-23-17-25-7-5-6-8-27(25)22-43(23)37(46)32-14-9-28(39)19-34(32)35-20-33(24(2)42(35)4)38(47)44(29-10-12-31(45)13-11-29)30-18-26-15-16-41(3)36(26)40-21-30/h5-16,18-21,23,45H,17,22H2,1-4H3/t23-/m1/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))
BDBM161533
PNG
(US9108983, Example 65)
Show SMILES Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccccc1)c1cnc2n(C)ccc2c1
Show InChI InChI=1S/C43H42N6O5/c1-28-35(43(51)49(32-11-5-4-6-12-32)33-20-30-13-14-45(2)41(30)44-24-33)21-38(46(28)3)36-22-39-40(54-27-53-39)23-37(36)42(50)48-25-31-10-8-7-9-29(31)19-34(48)26-47-15-17-52-18-16-47/h4-14,20-24,34H,15-19,25-27H2,1-3H3/t34-/m0/s1
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n/an/a 21.9n/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))
BDBM161537
PNG
(US9108983, Example 69)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3cnc4n(C)ccc4c3)c(C)n2C)CC1
Show InChI InChI=1S/C44H45N7O5/c1-28-36(44(54)51(32-9-11-35(52)12-10-32)33-20-30-13-14-47(3)42(30)45-24-33)21-39(48(28)4)37-22-40-41(56-27-55-40)23-38(37)43(53)50-25-31-8-6-5-7-29(31)19-34(50)26-49-17-15-46(2)16-18-49/h5-14,20-24,34,52H,15-19,25-27H2,1-4H3/t34-/m0/s1
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n/an/a 5.30n/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))
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



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



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))
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))
BDBM161477
PNG
(US9108983, Example 5)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(cn2C)C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)CC1
Show InChI InChI=1S/C43H43ClN6O3/c1-45-18-20-48(21-19-45)28-36-22-29-6-4-5-7-31(29)27-49(36)43(53)38-14-8-33(44)25-39(38)41-24-32(26-47(41)3)42(52)50(34-9-12-37(51)13-10-34)35-11-15-40-30(23-35)16-17-46(40)2/h4-17,23-26,36,51H,18-22,27-28H2,1-3H3/t36-/m0/s1
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n/an/a 21.2n/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
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Ligand-Target Pair