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Compile Data Set for Download or QSAR

Found 10 hits of Enz. Inhib. data with enzyme = 'Apoptosis regulator Bcl-2' and Substrate = 'FITC-conjugated-Bim BH3 Peptide'   
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))
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
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))
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
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))
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
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))
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
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))
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
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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PubMed
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))
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
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))
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
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))
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
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))
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
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))
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
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