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Compile Data Set for Download or QSAR

Found 31 hits of Enz. Inhib. data with enzyme = 'E3 ubiquitin-protein ligase Mdm2' and Substrate = 'p53 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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35079
PNG
(N-acylpolyamine (NAPA) scaffold, 26)
Show SMILES CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(C)cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C55H88BrN9O9/c1-40(2)16-27-50(67)62-46(25-28-51(68)69)37-64(54(73)60-34-9-13-42-11-5-4-6-12-42)47(15-7-8-32-57)39-65(55(74)61-35-30-44-19-17-41(3)18-20-44)48(26-29-52(70)71)38-63(36-31-49(58)66)53(72)59-33-10-14-43-21-23-45(56)24-22-43/h17-24,40,42,46-48H,4-16,25-39,57H2,1-3H3,(H2,58,66)(H,59,72)(H,60,73)(H,61,74)(H,62,67)(H,68,69)(H,70,71)
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n/an/a 2.30E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35078
PNG
(N-acylpolyamine (NAPA) scaffold, 25)
Show SMILES CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C54H85BrFN9O9/c1-39(2)15-26-49(67)62-45(24-27-50(68)69)36-64(53(73)60-33-8-12-40-10-4-3-5-11-40)46(14-6-7-31-57)38-65(54(74)61-34-29-42-16-20-43(55)21-17-42)47(25-28-51(70)71)37-63(35-30-48(58)66)52(72)59-32-9-13-41-18-22-44(56)23-19-41/h16-23,39-40,45-47H,3-15,24-38,57H2,1-2H3,(H2,58,66)(H,59,72)(H,60,73)(H,61,74)(H,62,67)(H,68,69)(H,70,71)
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n/an/a 2.60E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35077
PNG
(N-acylpolyamine (NAPA) scaffold, 24)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)CCC1CCCCC1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C57H89Br2N9O9/c58-46-23-18-44(19-24-46)16-10-35-62-55(75)66(38-33-51(61)69)40-50(28-31-54(73)74)68(57(77)64-37-32-45-20-25-47(59)26-21-45)41-49(17-7-8-34-60)67(56(76)63-36-9-15-42-11-3-1-4-12-42)39-48(27-30-53(71)72)65-52(70)29-22-43-13-5-2-6-14-43/h18-21,23-26,42-43,48-50H,1-17,22,27-41,60H2,(H2,61,69)(H,62,75)(H,63,76)(H,64,77)(H,65,70)(H,71,72)(H,73,74)
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n/an/a 2.80E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35076
PNG
(N-acylpolyamine (NAPA) scaffold, 23)
Show SMILES CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C54H85Br2N9O9/c1-39(2)15-26-49(67)62-45(24-27-50(68)69)36-64(53(73)60-33-8-12-40-10-4-3-5-11-40)46(14-6-7-31-57)38-65(54(74)61-34-29-42-18-22-44(56)23-19-42)47(25-28-51(70)71)37-63(35-30-48(58)66)52(72)59-32-9-13-41-16-20-43(55)21-17-41/h16-23,39-40,45-47H,3-15,24-38,57H2,1-2H3,(H2,58,66)(H,59,72)(H,60,73)(H,61,74)(H,62,67)(H,68,69)(H,70,71)
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n/an/a 2.80E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35080
PNG
(N-acylpolyamine (NAPA) scaffold, 27)
Show SMILES CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(C)cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C55H88FN9O9/c1-40(2)16-27-50(67)62-46(25-28-51(68)69)37-64(54(73)60-34-9-13-42-11-5-4-6-12-42)47(15-7-8-32-57)39-65(55(74)61-35-30-44-19-17-41(3)18-20-44)48(26-29-52(70)71)38-63(36-31-49(58)66)53(72)59-33-10-14-43-21-23-45(56)24-22-43/h17-24,40,42,46-48H,4-16,25-39,57H2,1-3H3,(H2,58,66)(H,59,72)(H,60,73)(H,61,74)(H,62,67)(H,68,69)(H,70,71)
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n/an/a 2.90E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35083
PNG
(N-acylpolyamine (NAPA) scaffold, 34)
Show SMILES CC(C)CCC(=O)N[C@@H](CCCC(O)=O)CN([C@@H](CCCCN)CN([C@@H](CCCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C56H89BrFN9O9/c1-41(2)21-30-51(69)64-47(16-8-19-52(70)71)38-66(55(75)62-35-10-14-42-12-4-3-5-13-42)49(17-6-7-33-59)40-67(56(76)63-36-31-44-22-26-45(57)27-23-44)48(18-9-20-53(72)73)39-65(37-32-50(60)68)54(74)61-34-11-15-43-24-28-46(58)29-25-43/h22-29,41-42,47-49H,3-21,30-40,59H2,1-2H3,(H2,60,68)(H,61,74)(H,62,75)(H,63,76)(H,64,69)(H,70,71)(H,72,73)/t47-,48-,49-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35071
PNG
(N-acylpolyamine (NAPA) scaffold, 18)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C49H76Br2N10O9/c50-38-17-13-36(14-18-38)11-7-28-55-47(68)59(31-26-43(53)62)33-42(22-24-45(65)66)61(49(70)57-30-25-37-15-19-39(51)20-16-37)34-41(12-4-5-27-52)60(32-40(58-46(54)67)21-23-44(63)64)48(69)56-29-6-10-35-8-2-1-3-9-35/h13-20,35,40-42H,1-12,21-34,52H2,(H2,53,62)(H,55,68)(H,56,69)(H,57,70)(H,63,64)(H,65,66)(H3,54,58,67)
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n/an/a 6.40E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35074
PNG
(N-acylpolyamine (NAPA) scaffold, 21)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)NCC1CCCCC1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C56H88Br2N10O9/c57-45-22-18-42(19-23-45)16-10-33-61-54(75)66(36-31-50(60)69)39-49(27-29-52(72)73)68(56(77)63-35-30-43-20-24-46(58)25-21-43)40-48(17-7-8-32-59)67(55(76)62-34-9-15-41-11-3-1-4-12-41)38-47(26-28-51(70)71)65-53(74)64-37-44-13-5-2-6-14-44/h18-25,41,44,47-49H,1-17,26-40,59H2,(H2,60,69)(H,61,75)(H,62,76)(H,63,77)(H,70,71)(H,72,73)(H2,64,65,74)
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n/an/a 6.60E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35075
PNG
(N-acylpolyamine (NAPA) scaffold, 22)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)[C@@H]1CCCN1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C53H82Br2N10O9/c54-41-19-15-39(16-20-41)12-7-31-59-51(72)63(34-28-47(57)66)36-45(24-26-49(69)70)65(53(74)61-33-27-40-17-21-42(55)22-18-40)37-44(13-4-5-29-56)64(52(73)60-32-6-11-38-9-2-1-3-10-38)35-43(23-25-48(67)68)62-50(71)46-14-8-30-58-46/h15-22,38,43-46,58H,1-14,23-37,56H2,(H2,57,66)(H,59,72)(H,60,73)(H,61,74)(H,62,71)(H,67,68)(H,69,70)/t43?,44?,45?,46-/m0/s1
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n/an/a 8.20E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35070
PNG
(N-acylpolyamine (NAPA) scaffold, 17)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccc(Br)cc1
Show InChI InChI=1S/C49H69Br3N10O9/c50-37-14-8-34(9-15-37)5-3-27-56-47(69)60(30-25-43(54)63)32-42(21-23-45(66)67)62(49(71)58-29-24-36-12-18-39(52)19-13-36)33-41(7-1-2-26-53)61(31-40(59-46(55)68)20-22-44(64)65)48(70)57-28-4-6-35-10-16-38(51)17-11-35/h8-19,40-42H,1-7,20-33,53H2,(H2,54,63)(H,56,69)(H,57,70)(H,58,71)(H,64,65)(H,66,67)(H3,55,59,68)
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n/an/a 8.20E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35062
PNG
(N-acylpolyamine (NAPA) scaffold, 9)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C46H72Br2N10O9/c1-32(2)7-5-25-53-45(66)57(29-37(55-43(51)64)18-20-41(60)61)38(9-3-4-24-49)31-58(46(67)54-27-22-34-12-16-36(48)17-13-34)39(19-21-42(62)63)30-56(28-23-40(50)59)44(65)52-26-6-8-33-10-14-35(47)15-11-33/h10-17,32,37-39H,3-9,18-31,49H2,1-2H3,(H2,50,59)(H,52,65)(H,53,66)(H,54,67)(H,60,61)(H,62,63)(H3,51,55,64)
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n/an/a 9.20E+3n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35069
PNG
(N-acylpolyamine (NAPA) scaffold, 16)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C49H69Br2N11O11/c50-37-14-8-34(9-15-37)5-3-27-55-47(69)59(30-25-43(53)63)32-42(21-23-45(66)67)61(49(71)57-29-24-36-10-16-38(51)17-11-36)33-41(7-1-2-26-52)60(31-39(58-46(54)68)18-22-44(64)65)48(70)56-28-4-6-35-12-19-40(20-13-35)62(72)73/h8-17,19-20,39,41-42H,1-7,18,21-33,52H2,(H2,53,63)(H,55,69)(H,56,70)(H,57,71)(H,64,65)(H,66,67)(H3,54,58,68)
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n/an/a 1.00E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35072
PNG
(N-acylpolyamine (NAPA) scaffold, 19)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)Nc1ccccc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C55H80Br2N10O9/c56-43-22-18-41(19-23-43)14-10-33-60-53(74)65(36-31-49(59)68)38-48(27-29-51(71)72)67(55(76)62-35-30-42-20-24-44(57)25-21-42)39-47(17-7-8-32-58)66(54(75)61-34-9-13-40-11-3-1-4-12-40)37-46(26-28-50(69)70)64-52(73)63-45-15-5-2-6-16-45/h2,5-6,15-16,18-25,40,46-48H,1,3-4,7-14,17,26-39,58H2,(H2,59,68)(H,60,74)(H,61,75)(H,62,76)(H,69,70)(H,71,72)(H2,63,64,73)
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n/an/a 1.05E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35068
PNG
(N-acylpolyamine (NAPA) scaffold, 15)
Show SMILES COc1ccc(CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc2ccc(Br)cc2)C(=O)NCCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C50H72Br2N10O10/c1-72-43-21-13-36(14-22-43)7-5-29-57-49(70)61(32-40(59-47(55)68)19-23-45(64)65)41(8-2-3-27-53)34-62(50(71)58-30-25-37-11-17-39(52)18-12-37)42(20-24-46(66)67)33-60(31-26-44(54)63)48(69)56-28-4-6-35-9-15-38(51)16-10-35/h9-18,21-22,40-42H,2-8,19-20,23-34,53H2,1H3,(H2,54,63)(H,56,69)(H,57,70)(H,58,71)(H,64,65)(H,66,67)(H3,55,59,68)
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n/an/a 1.20E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35067
PNG
(N-acylpolyamine (NAPA) scaffold, 14)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C49H70Br2N10O9/c50-38-17-13-36(14-18-38)11-7-28-55-47(68)59(31-26-43(53)62)33-42(22-24-45(65)66)61(49(70)57-30-25-37-15-19-39(51)20-16-37)34-41(12-4-5-27-52)60(32-40(58-46(54)67)21-23-44(63)64)48(69)56-29-6-10-35-8-2-1-3-9-35/h1-3,8-9,13-20,40-42H,4-7,10-12,21-34,52H2,(H2,53,62)(H,55,68)(H,56,69)(H,57,70)(H,63,64)(H,65,66)(H3,54,58,67)
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n/an/a 1.30E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35066
PNG
(N-acylpolyamine (NAPA) scaffold, 13)
Show SMILES CC(C)CCCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C47H74Br2N10O9/c1-33(2)8-4-6-26-54-46(67)58(30-38(56-44(52)65)19-21-42(61)62)39(10-3-5-25-50)32-59(47(68)55-28-23-35-13-17-37(49)18-14-35)40(20-22-43(63)64)31-57(29-24-41(51)60)45(66)53-27-7-9-34-11-15-36(48)16-12-34/h11-18,33,38-40H,3-10,19-32,50H2,1-2H3,(H2,51,60)(H,53,66)(H,54,67)(H,55,68)(H,61,62)(H,63,64)(H3,52,56,65)
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n/an/a 1.30E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35081
PNG
(N-acylpolyamine (NAPA) scaffold, 28)
Show SMILES CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCCc1ccc(F)cc1)C(=O)NCCc1ccc(C)cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C56H90FN9O9/c1-41(2)17-28-51(68)63-47(26-29-52(69)70)38-65(55(74)61-35-11-15-43-12-5-4-6-13-43)48(16-7-9-33-58)40-66(56(75)62-36-31-45-20-18-42(3)19-21-45)49(27-30-53(71)72)39-64(37-32-50(59)67)54(73)60-34-10-8-14-44-22-24-46(57)25-23-44/h18-25,41,43,47-49H,4-17,26-40,58H2,1-3H3,(H2,59,67)(H,60,73)(H,61,74)(H,62,75)(H,63,68)(H,69,70)(H,71,72)
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n/an/a 1.30E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35061
PNG
(N-acylpolyamine (NAPA) scaffold, 8)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C45H70Br2N10O9/c1-31(2)6-5-24-51-44(65)56(28-36(54-42(50)63)16-18-40(59)60)37(7-3-4-23-48)30-57(45(66)53-26-21-33-10-14-35(47)15-11-33)38(17-19-41(61)62)29-55(27-22-39(49)58)43(64)52-25-20-32-8-12-34(46)13-9-32/h8-15,31,36-38H,3-7,16-30,48H2,1-2H3,(H2,49,58)(H,51,65)(H,52,64)(H,53,66)(H,59,60)(H,61,62)(H3,50,54,63)
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n/an/a 1.70E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35073
PNG
(N-acylpolyamine (NAPA) scaffold, 20)
Show SMILES NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)NCC=C)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C52H80Br2N10O9/c1-2-30-57-49(70)61-43(23-25-47(66)67)35-63(51(72)59-32-8-12-38-10-4-3-5-11-38)44(14-6-7-29-55)37-64(52(73)60-33-27-40-17-21-42(54)22-18-40)45(24-26-48(68)69)36-62(34-28-46(56)65)50(71)58-31-9-13-39-15-19-41(53)20-16-39/h2,15-22,38,43-45H,1,3-14,23-37,55H2,(H2,56,65)(H,58,71)(H,59,72)(H,60,73)(H,66,67)(H,68,69)(H2,57,61,70)
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n/an/a 1.70E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35058
PNG
(N-acylpolyamine (NAPA) scaffold, 5)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C46H73BrN10O9/c1-33(2)10-8-26-52-45(65)56(30-37(54-43(50)63)19-21-41(59)60)38(14-6-7-25-48)32-57(46(66)53-28-23-35-15-17-36(47)18-16-35)39(20-22-42(61)62)31-55(29-24-40(49)58)44(64)51-27-9-13-34-11-4-3-5-12-34/h3-5,11-12,15-18,33,37-39H,6-10,13-14,19-32,48H2,1-2H3,(H2,49,58)(H,51,64)(H,52,65)(H,53,66)(H,59,60)(H,61,62)(H3,50,54,63)
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n/an/a 1.80E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35059
PNG
(N-acylpolyamine (NAPA) scaffold, 6)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1)C(=O)NCCCc1ccc(Br)cc1
Show InChI InChI=1S/C47H75BrN10O9/c1-34(2)11-8-27-53-46(66)57(31-38(55-44(51)64)21-23-42(60)61)39(16-6-7-26-49)33-58(47(67)54-29-10-15-36-17-19-37(48)20-18-36)40(22-24-43(62)63)32-56(30-25-41(50)59)45(65)52-28-9-14-35-12-4-3-5-13-35/h3-5,12-13,17-20,34,38-40H,6-11,14-16,21-33,49H2,1-2H3,(H2,50,59)(H,52,65)(H,53,66)(H,54,67)(H,60,61)(H,62,63)(H3,51,55,64)
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n/an/a 2.00E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35063
PNG
(N-acylpolyamine (NAPA) scaffold, 10)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(C)cc1)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C47H75BrN10O9/c1-33(2)8-6-26-53-46(66)57(30-38(55-44(51)64)19-21-42(60)61)39(10-4-5-25-49)32-58(47(67)54-28-23-36-15-17-37(48)18-16-36)40(20-22-43(62)63)31-56(29-24-41(50)59)45(65)52-27-7-9-35-13-11-34(3)12-14-35/h11-18,33,38-40H,4-10,19-32,49H2,1-3H3,(H2,50,59)(H,52,65)(H,53,66)(H,54,67)(H,60,61)(H,62,63)(H3,51,55,64)
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n/an/a 2.40E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35060
PNG
(N-acylpolyamine (NAPA) scaffold, 7)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C46H73BrN10O9/c1-33(2)10-8-26-51-45(65)56(30-37(54-43(50)63)19-21-41(59)60)38(14-6-7-25-48)32-57(46(66)52-27-9-13-34-11-4-3-5-12-34)39(20-22-42(61)62)31-55(29-24-40(49)58)44(64)53-28-23-35-15-17-36(47)18-16-35/h3-5,11-12,15-18,33,37-39H,6-10,13-14,19-32,48H2,1-2H3,(H2,49,58)(H,51,65)(H,52,66)(H,53,64)(H,59,60)(H,61,62)(H3,50,54,63)
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n/an/a 3.80E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35064
PNG
(N-acylpolyamine (NAPA) scaffold, 11)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(cc1)[N+]([O-])=O)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C46H72BrN11O11/c1-32(2)7-5-25-52-45(66)56(29-36(54-43(50)64)16-20-41(60)61)38(9-3-4-24-48)31-57(46(67)53-27-22-34-10-14-35(47)15-11-34)39(19-21-42(62)63)30-55(28-23-40(49)59)44(65)51-26-6-8-33-12-17-37(18-13-33)58(68)69/h10-15,17-18,32,36,38-39H,3-9,16,19-31,48H2,1-2H3,(H2,49,59)(H,51,65)(H,52,66)(H,53,67)(H,60,61)(H,62,63)(H3,50,54,64)
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n/an/a 4.10E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35057
PNG
(N-acylpolyamine (NAPA) scaffold, 4)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C46H73ClN10O9/c1-33(2)10-8-26-52-45(65)56(30-37(54-43(50)63)19-21-41(59)60)38(14-6-7-25-48)32-57(46(66)53-28-23-35-15-17-36(47)18-16-35)39(20-22-42(61)62)31-55(29-24-40(49)58)44(64)51-27-9-13-34-11-4-3-5-12-34/h3-5,11-12,15-18,33,37-39H,6-10,13-14,19-32,48H2,1-2H3,(H2,49,58)(H,51,64)(H,52,65)(H,53,66)(H,59,60)(H,61,62)(H3,50,54,63)
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n/an/a 4.30E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35056
PNG
(N-acylpolyamine (NAPA) scaffold, 3)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C45H70Cl2N10O9/c1-31(2)6-5-24-51-44(65)56(28-36(54-42(50)63)16-18-40(59)60)37(7-3-4-23-48)30-57(45(66)53-26-21-33-10-14-35(47)15-11-33)38(17-19-41(61)62)29-55(27-22-39(49)58)43(64)52-25-20-32-8-12-34(46)13-9-32/h8-15,31,36-38H,3-7,16-30,48H2,1-2H3,(H2,49,58)(H,51,65)(H,52,64)(H,53,66)(H,59,60)(H,61,62)(H3,50,54,63)
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n/an/a 6.30E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35055
PNG
(N-acylpolyamine (NAPA) scaffold, 2)
Show SMILES CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C45H71ClN10O9/c1-32(2)9-8-25-50-44(64)55(29-36(53-42(49)62)17-19-40(58)59)37(12-6-7-24-47)31-56(45(65)52-27-22-34-13-15-35(46)16-14-34)38(18-20-41(60)61)30-54(28-23-39(48)57)43(63)51-26-21-33-10-4-3-5-11-33/h3-5,10-11,13-16,32,36-38H,6-9,12,17-31,47H2,1-2H3,(H2,48,57)(H,50,64)(H,51,63)(H,52,65)(H,58,59)(H,60,61)(H3,49,53,62)
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n/an/a 8.50E+4n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35085
PNG
(N-acylpolyamine (NAPA) scaffold, 36)
Show SMILES CC(C)CCC(=O)NC(CCC(O)=O)CN(CCCCCC1CCCCC1)C(CCCCN)CN(CCCCc1ccc(Br)cc1)C(CCC(O)=O)CN(CCCCCc1ccc(F)cc1)CCC(N)=O
Show InChI InChI=1S/C57H94BrFN6O6/c1-45(2)22-33-55(67)62-51(31-34-56(68)69)42-64(39-14-5-9-18-46-16-6-3-7-17-46)52(21-10-12-37-60)44-65(40-15-11-20-47-23-27-49(58)28-24-47)53(32-35-57(70)71)43-63(41-36-54(61)66)38-13-4-8-19-48-25-29-50(59)30-26-48/h23-30,45-46,51-53H,3-22,31-44,60H2,1-2H3,(H2,61,66)(H,62,67)(H,68,69)(H,70,71)
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Article
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n/an/a>1.00E+5n/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35054
PNG
(N-acylpolyamine (NAPA) scaffold, 1)
Show SMILES CC(C)CCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C44H69ClN10O9/c1-31(2)19-24-50-43(63)54(28-35(52-41(48)61)15-17-39(57)58)36(10-6-7-23-46)30-55(44(64)51-26-21-33-11-13-34(45)14-12-33)37(16-18-40(59)60)29-53(27-22-38(47)56)42(62)49-25-20-32-8-4-3-5-9-32/h3-5,8-9,11-14,31,35-37H,6-7,10,15-30,46H2,1-2H3,(H2,47,56)(H,49,62)(H,50,63)(H,51,64)(H,57,58)(H,59,60)(H3,48,52,61)
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n/an/a>1.00E+5n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35065
PNG
(N-acylpolyamine (NAPA) scaffold, 12)
Show SMILES COc1ccc(CCCNC(=O)N(CCC(N)=O)CC(CCC(O)=O)N(CC(CCCCN)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCC(C)C)C(=O)NCCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C47H75BrN10O10/c1-33(2)8-6-26-53-46(66)57(30-37(55-44(51)64)17-21-42(60)61)38(10-4-5-25-49)32-58(47(67)54-28-23-35-11-15-36(48)16-12-35)39(18-22-43(62)63)31-56(29-24-41(50)59)45(65)52-27-7-9-34-13-19-40(68-3)20-14-34/h11-16,19-20,33,37-39H,4-10,17-18,21-32,49H2,1-3H3,(H2,50,59)(H,52,65)(H,53,66)(H,54,67)(H,60,61)(H,62,63)(H3,51,55,64)
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n/an/a>1.00E+5n/an/an/an/a7.623



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM35084
PNG
(N-acylpolyamine (NAPA) scaffold, 35)
Show SMILES NCCCC[C@@H](CN([C@@H](CCCCN)CN([C@@H](CCCCN)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1)NC(N)=O
Show InChI InChI=1S/C51H86BrFN12O5/c52-42-23-19-41(20-24-42)27-34-61-51(70)65(45(17-5-8-30-55)37-63(35-28-47(57)66)49(68)59-32-11-15-40-21-25-43(53)26-22-40)38-46(18-6-9-31-56)64(36-44(62-48(58)67)16-4-7-29-54)50(69)60-33-10-14-39-12-2-1-3-13-39/h19-26,39,44-46H,1-18,27-38,54-56H2,(H2,57,66)(H,59,68)(H,60,69)(H,61,70)(H3,58,62,67)/t44-,45-,46-/m0/s1
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n/an/an/an/an/an/an/an/an/a



NIH



Assay Description
Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments. Protein was incubated with fluorescein-labeled huma...


Bioorg Med Chem 17: 7884-93 (2009)


Article DOI: 10.1016/j.bmc.2009.10.032
BindingDB Entry DOI: 10.7270/Q2057D90
More data for this
Ligand-Target Pair