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Compile Data Set for Download or QSAR

Found 311 hits of ph data with Target = 'Apoptosis regulator Bcl-2'   
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


(Mus musculus (Mouse))
BDBM238185
PNG
(US9394303, 57)
Show SMILES Cc1nn(Cc2ccc(Oc3cc(C)c(Cl)c(C)c3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C27H22ClN3O4/c1-15-11-20(12-16(2)25(15)28)35-19-8-6-18(7-9-19)14-31-26-24(17(3)30-31)21(27(32)33)13-22(29-26)23-5-4-10-34-23/h4-13H,14H2,1-3H3,(H,32,33)
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1.95E+3 -32.6n/an/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM238190
PNG
(US9394303, 16)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(\C=C\c3ccccc3)cc(C(O)=O)c12
Show InChI InChI=1S/C29H23N3O3/c1-20-27-26(29(33)34)18-23(15-12-21-8-4-2-5-9-21)30-28(27)32(31-20)19-22-13-16-25(17-14-22)35-24-10-6-3-7-11-24/h2-18H,19H2,1H3,(H,33,34)/b15-12+
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3.16E+3 -31.4n/an/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM238181
PNG
(US9394303, 8)
Show SMILES Cc1nn(Cc2ccc(Oc3ccccc3)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C25H19N3O4/c1-16-23-20(25(29)30)14-21(22-8-5-13-31-22)26-24(23)28(27-16)15-17-9-11-19(12-10-17)32-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,29,30)
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>4.00E+3>-30.8n/an/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM238186
PNG
(US9394303, 58)
Show SMILES Cc1nn(Cc2ccc(Oc3cccc4ccccc34)cc2)c2nc(cc(C(O)=O)c12)-c1ccco1
Show InChI InChI=1S/C29H21N3O4/c1-18-27-23(29(33)34)16-24(26-10-5-15-35-26)30-28(27)32(31-18)17-19-11-13-21(14-12-19)36-25-9-4-7-20-6-2-3-8-22(20)25/h2-16H,17H2,1H3,(H,33,34)
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>4.00E+3>-30.8n/an/an/an/an/a7.425



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to t...


US Patent US9394303 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HCM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31802
PNG
(Apogossypol | US9115061, Apogossypol)
Show SMILES CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O |(-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;.37,11.24,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Show InChI InChI=1S/C28H30O6/c1-11(2)21-15-7-13(5)23(25(31)17(15)9-19(29)27(21)33)24-14(6)8-16-18(26(24)32)10-20(30)28(34)22(16)12(3)4/h7-12,29-34H,1-6H3
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n/an/a 4.30E+3n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31803
PNG
(Apogossypol derivative, 12e)
Show SMILES Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-6.3,1.23,;-6.3,-.31,;-7.63,-1.08,;-7.63,-2.62,;-6.3,-3.39,;-4.97,-2.62,;-4.97,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;3.04,12.78,;1.7,13.55,;1.7,15.09,;3.04,15.86,;4.37,15.09,;4.37,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Show InChI InChI=1S/C38H34O6/c1-21-17-27-25(15-13-23-9-5-3-6-10-23)35(41)31(39)19-29(27)37(43)33(21)34-22(2)18-28-26(16-14-24-11-7-4-8-12-24)36(42)32(40)20-30(28)38(34)44/h3-12,17-20,39-44H,13-16H2,1-2H3
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n/an/a 480n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31804
PNG
(Apogossypol derivative, 8m)
Show SMILES Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-2.3,-1.08,;-3.63,-.31,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Show InChI InChI=1S/C38H44N2O8/c1-19-13-23-25(15-27(41)35(45)31(23)37(47)39-17-21-9-5-3-6-10-21)33(43)29(19)30-20(2)14-24-26(34(30)44)16-28(42)36(46)32(24)38(48)40-18-22-11-7-4-8-12-22/h13-16,21-22,41-46H,3-12,17-18H2,1-2H3,(H,39,47)(H,40,48)
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n/an/a 710n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31805
PNG
(Apogossypol derivative, 8n)
Show SMILES Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Show InChI InChI=1S/C40H36N2O8/c1-21-17-25-27(19-29(43)37(47)33(25)39(49)41-15-13-23-9-5-3-6-10-23)35(45)31(21)32-22(2)18-26-28(36(32)46)20-30(44)38(48)34(26)40(50)42-16-14-24-11-7-4-8-12-24/h3-12,17-20,43-48H,13-16H2,1-2H3,(H,41,49)(H,42,50)
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n/an/a 150n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31806
PNG
(Apogossypol derivative, 8p)
Show SMILES Cc1cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;.37,-1.08,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;9.7,13.55,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Show InChI InChI=1S/C40H34Cl2N2O8/c1-19-13-25-27(17-29(45)37(49)33(25)39(51)43-11-9-21-5-3-7-23(41)15-21)35(47)31(19)32-20(2)14-26-28(36(32)48)18-30(46)38(50)34(26)40(52)44-12-10-22-6-4-8-24(42)16-22/h3-8,13-18,45-50H,9-12H2,1-2H3,(H,43,51)(H,44,52)
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n/an/a 4.40E+3n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31807
PNG
(Apogossypol derivative, 8q)
Show SMILES CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCCc4ccc(CC)cc4)c(O)c(O)cc3c2O)cc1 |(11.04,11.24,;9.7,10.47,;8.37,11.24,;7.04,10.47,;5.7,11.24,;5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;.37,2,;.37,3.54,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;7.04,13.55,;8.37,12.78,)|
Show InChI InChI=1S/C44H44N2O8/c1-5-25-7-11-27(12-8-25)15-17-45-43(53)37-29-19-23(3)35(39(49)31(29)21-33(47)41(37)51)36-24(4)20-30-32(40(36)50)22-34(48)42(52)38(30)44(54)46-18-16-28-13-9-26(6-2)10-14-28/h7-14,19-22,47-52H,5-6,15-18H2,1-4H3,(H,45,53)(H,46,54)
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n/an/a 670n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31808
PNG
(Apogossypol derivative, 8j)
Show SMILES Cc1cc(C)c(CNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCc4c(C)cc(C)cc4C)c(O)c(O)cc3c2O)c(C)c1 |(8.37,15.86,;7.04,15.09,;5.7,15.86,;4.37,15.09,;3.04,15.86,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,-1.08,;-2.3,-2.62,;-.96,-3.39,;-3.63,-3.39,;-4.97,-2.62,;-6.3,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;5.7,12.78,;5.7,11.24,;7.04,13.55,)|
Show InChI InChI=1S/C44H44N2O8/c1-19-9-21(3)31(22(4)10-19)17-45-43(53)37-27-13-25(7)35(39(49)29(27)15-33(47)41(37)51)36-26(8)14-28-30(40(36)50)16-34(48)42(52)38(28)44(54)46-18-32-23(5)11-20(2)12-24(32)6/h9-16,47-52H,17-18H2,1-8H3,(H,45,53)(H,46,54)
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n/an/a 700n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31809
PNG
(Apogossypol derivative, 8k)
Show SMILES CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1 |(-7.63,-1.08,;-6.3,-.31,;-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.7,13.55,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;8.37,15.86,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-.96,-3.39,;-2.3,-1.08,;-3.63,-.31,)|
Show InChI InChI=1S/C40H34Cl2N2O8/c1-17-13-25-27(15-29(45)37(49)33(25)39(51)43-19(3)21-5-9-23(41)10-6-21)35(47)31(17)32-18(2)14-26-28(36(32)48)16-30(46)38(50)34(26)40(52)44-20(4)22-7-11-24(42)12-8-22/h5-16,19-20,45-50H,1-4H3,(H,43,51)(H,44,52)
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n/an/a 490n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31810
PNG
(Apogossypol derivative, 8r)
Show SMILES CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |(5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-4.97,-2.62,;-6.3,-3.39,;-6.3,-4.93,;-4.97,-5.71,;-3.63,-4.93,;-3.63,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;4.37,15.09,;3.04,15.86,;3.04,17.4,;4.37,18.17,;5.7,17.4,;5.7,15.86,)|
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)
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n/an/a 320n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31811
PNG
(Apogossypol derivative, 8s)
Show SMILES Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-7.55,-1.22,;-7.07,-2.68,;-7.84,-4.02,;-7.07,-5.35,;-5.53,-5.35,;-4.76,-4.02,;-5.53,-2.68,;-5.05,-1.22,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.83,13.73,;2.36,15.17,;1.65,16.54,;2.47,17.84,;4.01,17.78,;4.73,16.41,;3.9,15.11,;4.32,13.63,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
Show InChI InChI=1S/C42H36N2O8/c1-19-11-27-29(17-31(45)39(49)35(27)41(51)43-25-13-21-7-3-4-8-22(21)14-25)37(47)33(19)34-20(2)12-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-26-15-23-9-5-6-10-24(23)16-26/h3-12,17-18,25-26,45-50H,13-16H2,1-2H3,(H,43,51)(H,44,52)
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n/an/a 700n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM60411
PNG
(US9108983, 88)
Show SMILES COCCc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cnc2ccn(C)c2c1
Show InChI InChI=1S/C45H46N6O7/c1-47-14-12-38-41(47)21-32(25-46-38)51(31-8-10-34(52)11-9-31)45(54)37-22-40(48(2)39(37)13-17-55-3)35-23-42-43(58-28-57-42)24-36(35)44(53)50-26-30-7-5-4-6-29(30)20-33(50)27-49-15-18-56-19-16-49/h4-12,14,21-25,33,52H,13,15-20,26-28H2,1-3H3/t33-/m0/s1
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n/an/a 15.9n/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))
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 |c:2,5,7|
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))
BDBM60413
PNG
(US9108983, 447)
Show SMILES Cc1c(cc(-c2ccc(F)cc2C(=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)33-13-8-28(39)19-35(33)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 447n/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))
BDBM51910
PNG
(US9108983, 14)
Show SMILES Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C44H43N5O6/c1-28-36(44(52)49(32-8-11-35(50)12-9-32)33-10-13-39-30(21-33)14-15-45(39)2)22-40(46(28)3)37-23-41-42(55-27-54-41)24-38(37)43(51)48-25-31-7-5-4-6-29(31)20-34(48)26-47-16-18-53-19-17-47/h4-15,21-24,34,50H,16-20,25-27H2,1-3H3/t34-/m0/s1
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n/an/a 3.70n/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))
BDBM54890
PNG
(US9108983, 15)
Show SMILES Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C41H40N4O6/c1-27-34(41(48)45(30-10-4-3-5-11-30)31-12-14-33(46)15-13-31)21-37(42(27)2)35-22-38-39(51-26-50-38)23-36(35)40(47)44-24-29-9-7-6-8-28(29)20-32(44)25-43-16-18-49-19-17-43/h3-15,21-23,32,46H,16-20,24-26H2,1-2H3/t32-/m0/s1
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n/an/a 11.1n/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))
BDBM55855
PNG
(US9108983, 19)
Show SMILES COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccccc2)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C41H42N4O5/c1-28-37(41(48)45(31-11-5-4-6-12-31)32-13-15-34(46)16-14-32)25-39(42(28)2)38-24-35(49-3)17-18-36(38)40(47)44-26-30-10-8-7-9-29(30)23-33(44)27-43-19-21-50-22-20-43/h4-18,24-25,33,46H,19-23,26-27H2,1-3H3/t33-/m0/s1
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n/an/a 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))
BDBM60405
PNG
(US9108983, 70)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccncc3)c3ccc(O)cc3)c(C)n2C)CC1
Show InChI InChI=1S/C41H42N6O5/c1-27-34(41(50)47(31-12-14-42-15-13-31)30-8-10-33(48)11-9-30)21-37(44(27)3)35-22-38-39(52-26-51-38)23-36(35)40(49)46-24-29-7-5-4-6-28(29)20-32(46)25-45-18-16-43(2)17-19-45/h4-15,21-23,32,48H,16-20,24-26H2,1-3H3/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))
BDBM60406
PNG
(US9108983, 72)
Show SMILES Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1ccc2n(C)cnc2c1
Show InChI InChI=1S/C42H41ClN6O4/c1-27-36(42(52)49(31-9-12-34(50)13-10-31)32-11-15-39-38(22-32)44-26-45(39)2)23-40(46(27)3)37-21-30(43)8-14-35(37)41(51)48-24-29-7-5-4-6-28(29)20-33(48)25-47-16-18-53-19-17-47/h4-15,21-23,26,33,50H,16-20,24-25H2,1-3H3/t33-/m0/s1
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n/an/a 7.70n/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))
BDBM60408
PNG
(US9108983, 73)
Show SMILES Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccncc1)c1ccc(O)cc1
Show InChI InChI=1S/C40H39N5O6/c1-26-33(40(48)45(30-11-13-41-14-12-30)29-7-9-32(46)10-8-29)20-36(42(26)2)34-21-37-38(51-25-50-37)22-35(34)39(47)44-23-28-6-4-3-5-27(28)19-31(44)24-43-15-17-49-18-16-43/h3-14,20-22,31,46H,15-19,23-25H2,1-2H3/t31-/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))
BDBM60409
PNG
(US9108983, 75)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(N3CCN(C)CC3)c3ccc(O)cc3)c(n2C)C(F)(F)F)CC1
Show InChI InChI=1S/C41H46F3N7O5/c1-45-12-16-48(17-13-45)25-30-20-27-6-4-5-7-28(27)24-50(30)39(53)33-23-37-36(55-26-56-37)22-32(33)35-21-34(38(47(35)3)41(42,43)44)40(54)51(29-8-10-31(52)11-9-29)49-18-14-46(2)15-19-49/h4-11,21-23,30,52H,12-20,24-26H2,1-3H3/t30-/m0/s1
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n/an/a 52.9n/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


(Mus musculus (Mouse))
BDBM60596
PNG
(US9120791, 36 | US9603854, 36)
Show SMILES CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
Show InChI InChI=1S/C47H49N5O5/c1-3-57-39-16-17-40(46(54)51-30-34-9-5-4-8-32(34)26-37(51)31-49-22-24-56-25-23-49)41(28-39)45-29-42(44-10-6-7-20-50(44)45)47(55)52(35-11-14-38(53)15-12-35)36-13-18-43-33(27-36)19-21-48(43)2/h4-5,8-9,11-19,21,27-29,37,53H,3,6-7,10,20,22-26,30-31H2,1-2H3/t37-/m0/s1
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n/an/a 43n/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, at a final concentration of 2.50×10−8 M, is...


US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM60598
PNG
(US9120791, 109)
Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2ccc3OCOc3c2C(=O)N2Cc3ccccc3C[C@H]2CON2CCOCC2)n2CCCCc12)c1ccccc1
Show InChI InChI=1S/C43H42N4O7/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)42(49)36-25-38(45-19-7-6-12-37(36)45)35-17-18-39-41(53-28-52-39)40(35)43(50)46-26-30-9-5-4-8-29(30)24-33(46)27-54-44-20-22-51-23-21-44/h1-5,8-11,13-18,25,33,48H,6-7,12,19-24,26-28H2/t33-/m0/s1
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n/an/a 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, at a final concentration of 2.50×10−8 M, is...


US Patent US9120791 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZWC
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM109232
PNG
(6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
Show InChI InChI=1S/C23H18N4O2S/c28-22(29)20-9-4-7-17(24-20)15-12-11-14-5-3-8-18(16(14)13-15)26-27-23-25-19-6-1-2-10-21(19)30-23/h1-2,4,6-7,9-13H,3,5,8H2,(H,25,27)(H,28,29)
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n/an/a>1.00E+4n/an/an/an/a7.4n/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM109233
PNG
(2-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...)
Show SMILES OC(=O)c1csc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:16.17|
Show InChI InChI=1S/C21H16N4O2S2/c26-20(27)17-11-28-19(22-17)13-9-8-12-4-3-6-15(14(12)10-13)24-25-21-23-16-5-1-2-7-18(16)29-21/h1-2,5,7-11H,3-4,6H2,(H,23,25)(H,26,27)
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n/an/a 2.00E+3n/an/an/an/a7.4n/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM109236
PNG
(WEHI-539)
Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1 |w:26.27|
Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)
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n/an/a>1.20E+4>750n/an/an/a7.4n/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/a 14n/an/an/an/a7.4n/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
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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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))
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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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))
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
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))
BDBM161481
PNG
(US9108983, Example 9)
Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(cn2C)C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)CC1
Show InChI InChI=1S/C44H44N6O5/c1-45-16-18-48(19-17-45)27-35-20-29-6-4-5-7-31(29)26-49(35)44(53)38-24-42-41(54-28-55-42)23-37(38)40-22-32(25-47(40)3)43(52)50(33-8-11-36(51)12-9-33)34-10-13-39-30(21-34)14-15-46(39)2/h4-15,21-25,35,51H,16-20,26-28H2,1-3H3/t35-/m0/s1
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n/an/a 22.4n/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))
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))
BDBM161483
PNG
(US9108983, Example 11)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1CCCO)C(=O)N(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C42H43FN4O5/c1-29-38(42(51)47(33-10-3-2-4-11-33)34-13-15-36(49)16-14-34)26-40(45(29)18-7-21-48)39-25-32(43)12-17-37(39)41(50)46-27-31-9-6-5-8-30(31)24-35(46)28-44-19-22-52-23-20-44/h2-6,8-17,25-26,35,48-49H,7,18-24,27-28H2,1H3/t35-/m0/s1
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n/an/a 14.2n/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))
BDBM161484
PNG
(US9108983, Example 12)
Show SMILES Cc1c(cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C42H41FN6O4/c1-27-37(42(52)49(32-9-12-35(50)13-10-32)33-11-15-39-30(21-33)24-44-46(39)3)23-40(45(27)2)38-22-31(43)8-14-36(38)41(51)48-25-29-7-5-4-6-28(29)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 5.5n/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))
BDBM161485
PNG
(US9108983, Example 13)
Show SMILES Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1ccc(C)c(F)c1
Show InChI InChI=1S/C42H41FN4O6/c1-26-8-9-31(19-37(26)43)47(30-10-12-33(48)13-11-30)42(50)34-20-38(44(3)27(34)2)35-21-39-40(53-25-52-39)22-36(35)41(49)46-23-29-7-5-4-6-28(29)18-32(46)24-45-14-16-51-17-15-45/h4-13,19-22,32,48H,14-18,23-25H2,1-3H3/t32-/m0/s1
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n/an/a 4.40n/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))
BDBM161486
PNG
(US9108983, Example 16)
Show SMILES Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cccc(F)c1
Show InChI InChI=1S/C41H39FN4O6/c1-26-34(41(49)46(30-10-12-33(47)13-11-30)31-9-5-8-29(42)19-31)20-37(43(26)2)35-21-38-39(52-25-51-38)22-36(35)40(48)45-23-28-7-4-3-6-27(28)18-32(45)24-44-14-16-50-17-15-44/h3-13,19-22,32,47H,14-18,23-25H2,1-2H3/t32-/m0/s1
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n/an/a 12.6n/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))
BDBM161488
PNG
(US9108983, Example 18)
Show SMILES Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CCN2CCOCC2)n1CCO)C(=O)N(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C43H44N4O7/c1-29-36(43(51)47(32-9-3-2-4-10-32)33-11-13-35(49)14-12-33)24-39(45(29)17-20-48)37-25-40-41(54-28-53-40)26-38(37)42(50)46-27-31-8-6-5-7-30(31)23-34(46)15-16-44-18-21-52-22-19-44/h2-14,24-26,34,48-49H,15-23,27-28H2,1H3/t34-/m1/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))
BDBM161489
PNG
(US9108983, Example 20)
Show SMILES COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)c(c1)-c1cc(C(=O)N(c2ccncc2)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C36H34N4O4/c1-23-19-25-7-5-6-8-26(25)22-39(23)35(42)31-14-13-30(44-4)20-33(31)34-21-32(24(2)38(34)3)36(43)40(28-15-17-37-18-16-28)27-9-11-29(41)12-10-27/h5-18,20-21,23,41H,19,22H2,1-4H3/t23-/m1/s1
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n/an/a 4.90n/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
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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))
BDBM161491
PNG
(US9108983, Example 22)
Show SMILES Cc1c(cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C42H42N4O6/c1-28-35(42(49)46(31-10-4-3-5-11-31)32-12-14-34(47)15-13-32)23-38(43(28)2)36-24-39-40(52-21-20-51-39)25-37(36)41(48)45-26-30-9-7-6-8-29(30)22-33(45)27-44-16-18-50-19-17-44/h3-15,23-25,33,47H,16-22,26-27H2,1-2H3/t33-/m0/s1
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n/an/a 6.60n/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))
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
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