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Compile Data Set for Download or QSAR

Found 316 hits Enz. Inhib. hit(s) with Target = 'p53-Binding Protein HDMX'   
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
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50327206
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-11-((1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C60H90N12O17/c1-31(2)23-41(66-57(85)45(28-49(77)78)68-58(86)47(30-73)71-55(83)43(26-35-15-9-8-10-16-35)69-59(87)50(34(7)74)72-51(79)38(62)20-21-48(75)76)53(81)67-44(27-36-29-63-39-18-12-11-17-37(36)39)56(84)64-40(19-13-14-22-61)52(80)65-42(24-32(3)4)54(82)70-46(60(88)89)25-33(5)6/h8-12,15-18,29,31-34,38,40-47,50,63,73-74H,13-14,19-28,30,61-62H2,1-7H3,(H,64,84)(H,65,80)(H,66,85)(H,67,81)(H,68,86)(H,69,87)(H,70,82)(H,71,83)(H,72,79)(H,75,76)(H,77,78)(H,88,89)/t34-,38+,40+,41+,42+,43+,44+,45+,46+,47+,50+/m1/s1
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n/an/an/a 390n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to MDMX


Bioorg Med Chem 18: 6099-108 (2010)


Article DOI: 10.1016/j.bmc.2010.06.053
BindingDB Entry DOI: 10.7270/Q2GM87J8
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(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 4.10E+4n/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
p53-Binding Protein HDMX


(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
p53-Binding Protein HDMX


(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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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
p53-Binding Protein HDMX


(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 4.10E+4n/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
p53-Binding Protein HDMX


(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 2.40E+4n/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
p53-Binding Protein HDMX


(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 3.60E+4n/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
p53-Binding Protein HDMX


(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 5.90E+4n/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
p53-Binding Protein HDMX


(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/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
p53-Binding Protein HDMX


(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/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
p53-Binding Protein HDMX


(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 2.00E+4n/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
p53-Binding Protein HDMX


(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/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
p53-Binding Protein HDMX


(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 8.10E+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
p53-Binding Protein HDMX


(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 7.50E+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
p53-Binding Protein HDMX


(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 6.50E+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
p53-Binding Protein HDMX


(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 7.60E+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
p53-Binding Protein HDMX


(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 1.00E+4n/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
p53-Binding Protein HDMX


(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 8.00E+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
p53-Binding Protein HDMX


(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 1.00E+4n/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
p53-Binding Protein HDMX


(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 4.10E+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
p53-Binding Protein HDMX


(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 7.50E+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
p53-Binding Protein HDMX


(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 2.70E+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
p53-Binding Protein HDMX


(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 3.20E+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
p53-Binding Protein HDMX


(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 5.10E+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
p53-Binding Protein HDMX


(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 1.40E+4n/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
p53-Binding Protein HDMX


(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 9.60E+4n/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
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM48124
PNG
((4,8-dimethylquinazolin-2-yl)-[3-(3-morpholinoprop...)
Show SMILES Cc1cccc2c(C)nc(NC3=NCN(CCCN4CCOCC4)CN3)nc12
Show InChI InChI=1S/C20H29N7O/c1-15-5-3-6-17-16(2)23-20(24-18(15)17)25-19-21-13-27(14-22-19)8-4-7-26-9-11-28-12-10-26/h3,5-6H,4,7-14H2,1-2H3,(H2,21,22,23,24,25)
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n/an/a 3.92E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM41443
PNG
(MLS000060380 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Show InChI InChI=1S/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
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n/an/a 4.99E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM79630
PNG
(MLS000049666 | N-[4-[5-(3,4,5-trimethoxyphenyl)-1,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C25H21N3O7/c1-30-20-11-16(12-21(31-2)22(20)32-3)25-27-23(28-35-25)14-4-7-17(8-5-14)26-24(29)15-6-9-18-19(10-15)34-13-33-18/h4-12H,13H2,1-3H3,(H,26,29)
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n/an/a 3.91E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM79631
PNG
(5'-methoxy-1'-methyl-5H-spiro[benzimidazo[...)
Show SMILES COc1ccc2N(C)C(=O)C3(Nc4ccccc4-c4nc5ccccc5n34)c2c1
Show InChI InChI=1S/C23H18N4O2/c1-26-19-12-11-14(29-2)13-16(19)23(22(26)28)25-17-8-4-3-7-15(17)21-24-18-9-5-6-10-20(18)27(21)23/h3-13,25H,1-2H3
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n/an/a 2.85E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM70514
PNG
(2-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]-5...)
Show SMILES Cn1nc(nc1Sc1nnc(o1)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C11H8N6O3S/c1-16-10(12-9(15-16)17(18)19)21-11-14-13-8(20-11)7-5-3-2-4-6-7/h2-6H,1H3
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n/an/a 6.19E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM48281
PNG
((2-fluorophenyl)-[5-[1-(2-methoxyethyl)-2,5-dimeth...)
Show SMILES COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccccc2F)SC1
Show InChI InChI=1S/C18H21FN4OS/c1-12-10-14(13(2)23(12)8-9-24-3)17-11-25-18(22-21-17)20-16-7-5-4-6-15(16)19/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM63209
PNG
(3-(1-phenyl-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)...)
Show SMILES O=c1oc2ccccc2cc1-c1cn(-c2ccccc2)c(=S)[nH]1
Show InChI InChI=1S/C18H12N2O2S/c21-17-14(10-12-6-4-5-9-16(12)22-17)15-11-20(18(23)19-15)13-7-2-1-3-8-13/h1-11H,(H,19,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM65180
PNG
((3,4-Dihydro-2H-quinolin-1-yl)-acetic acid [1-(2-h...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)CN1CCCc2ccccc12
Show InChI InChI=1S/C22H21N3O2/c26-21-12-11-16-6-1-3-9-18(16)19(21)14-23-24-22(27)15-25-13-5-8-17-7-2-4-10-20(17)25/h1-4,6-7,9-12,14,26H,5,8,13,15H2,(H,24,27)
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n/an/a 2.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM72275
PNG
((E)-2-butenedioic acid O4-[2-[(diphenylmethyl)amin...)
Show SMILES CCOC(=O)\C=C\C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21NO5/c1-2-26-19(24)13-14-20(25)27-15-18(23)22-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,21H,2,15H2,1H3,(H,22,23)/b14-13+
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n/an/a 3.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM79632
PNG
(2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...)
Show SMILES CC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM61625
PNG
(2-chloranyl-N-[2-[(2-chloranylpyridin-3-yl)carbony...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)c(NC(=O)c2cccnc2Cl)c1
Show InChI InChI=1S/C22H21Cl2N5O4S/c1-3-29(4-2)34(32,33)14-9-10-17(27-21(30)15-7-5-11-25-19(15)23)18(13-14)28-22(31)16-8-6-12-26-20(16)24/h5-13H,3-4H2,1-2H3,(H,27,30)(H,28,31)
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n/an/a 4.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM43474
PNG
((3Z,5E)-1-ethyl-3,5-bis(3-hydroxy-4-methoxy-benzyl...)
Show SMILES CCN1C\C(=C\c2ccc(OC)c(O)c2)C(=O)\C(C1)=C\c1ccc(OC)c(O)c1
Show InChI InChI=1S/C23H25NO5/c1-4-24-13-17(9-15-5-7-21(28-2)19(25)11-15)23(27)18(14-24)10-16-6-8-22(29-3)20(26)12-16/h5-12,25-26H,4,13-14H2,1-3H3/b17-9-,18-10+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM79633
PNG
(4-[2-(4,5-dichloro-6-keto-pyridazin-1-yl)acetyl]-3...)
Show SMILES CC1(C)N(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc2NC1=O
Show InChI InChI=1S/C16H14Cl2N4O3/c1-16(2)15(25)20-10-5-3-4-6-11(10)22(16)12(23)8-21-14(24)13(18)9(17)7-19-21/h3-7H,8H2,1-2H3,(H,20,25)
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n/an/a 5.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM79634
PNG
((E)-3-(2-Chloro-6-fluoro-phenyl)-1-(4-hydroxy-phen...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1c(F)cccc1Cl
Show InChI InChI=1S/C15H10ClFO2/c16-13-2-1-3-14(17)12(13)8-9-15(19)10-4-6-11(18)7-5-10/h1-9,18H/b9-8+
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n/an/a 5.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM58130
PNG
((6E)-6-[4-[N'-[(1E)-1-(6-ketocyclohexa-2,4-dien-1-...)
Show SMILES CC(N=Nc1cc(C)nc(n1)-c1ccccc1O)c1ccccc1O
Show InChI InChI=1S/C19H18N4O2/c1-12-11-18(21-19(20-12)15-8-4-6-10-17(15)25)23-22-13(2)14-7-3-5-9-16(14)24/h3-11,13,24-25H,1-2H3
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n/an/a 6.71E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM79635
PNG
(4-[(4-amino-6,7-dimethoxy-2-quinazolinyl)amino]ben...)
Show SMILES CCOC(=O)c1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C19H20N4O4/c1-4-27-18(24)11-5-7-12(8-6-11)21-19-22-14-10-16(26-3)15(25-2)9-13(14)17(20)23-19/h5-10H,4H2,1-3H3,(H3,20,21,22,23)
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n/an/a>7.90E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM79636
PNG
(1-(2-furanylmethyl)-2-imino-10-methyl-5-oxo-N-(2-p...)
Show SMILES Cc1cccn2c1nc1n(Cc3ccco3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C26H23N5O3/c1-17-7-5-13-30-23(17)29-24-21(26(30)33)15-20(22(27)31(24)16-19-10-6-14-34-19)25(32)28-12-11-18-8-3-2-4-9-18/h2-10,13-15,27H,11-12,16H2,1H3,(H,28,32)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM79083
PNG
(2-[2-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-py...)
Show SMILES COc1ccc(cc1)-c1cc2n(n1)c(C)nn(CC(=O)NCCCN1CCC(CC1)N1CCCCC1)c2=O
Show InChI InChI=1S/C28H39N7O3/c1-21-30-34(28(37)26-19-25(31-35(21)26)22-7-9-24(38-2)10-8-22)20-27(36)29-13-6-14-32-17-11-23(12-18-32)33-15-4-3-5-16-33/h7-10,19,23H,3-6,11-18,20H2,1-2H3,(H,29,36)
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n/an/a 9.38E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM60287
PNG
(2-nitro-N-(8-quinolinyl)benzenesulfonamide | 2-nit...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C15H11N3O4S/c19-18(20)13-8-1-2-9-14(13)23(21,22)17-12-7-3-5-11-6-4-10-16-15(11)12/h1-10,17H
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n/an/a 3.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM79637
PNG
(5-(4-acetylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2...)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C21H15N3O3S/c1-13(25)14-5-7-15(8-6-14)18-9-10-19(27-18)20(26)24-21-23-17(12-28-21)16-4-2-3-11-22-16/h2-12H,1H3,(H,23,24,26)
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n/an/a 3.97E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129722
PNG
(US8815926, 1)
Show SMILES COc1ccc(F)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C29H26Cl2FN3O2/c1-15(2)34-27-25(33-28(34)22-14-20(32)9-11-24(22)37-5)29(36)35(23-13-19(31)7-6-16(23)3)26(27)21-10-8-18(30)12-17(21)4/h6-15,26H,1-5H3
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129723
PNG
(US8815926, 2)
Show SMILES COc1cccc(F)c1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C29H26Cl2FN3O2/c1-15(2)34-27-25(33-28(34)24-21(32)7-6-8-23(24)37-5)29(36)35(22-14-19(31)10-9-16(22)3)26(27)20-12-11-18(30)13-17(20)4/h6-15,26H,1-5H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 411n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129724
PNG
(US8815926, 3)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C29H24Cl2F3N3O2/c1-15(2)36-26-24(35-27(36)21-7-5-6-8-23(21)39-29(32,33)34)28(38)37(22-14-19(31)10-9-16(22)3)25(26)20-12-11-18(30)13-17(20)4/h5-15,25H,1-4H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 703n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129725
PNG
(US8815926, 4)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C#N
Show InChI InChI=1S/C30H26Cl2N4O2/c1-16(2)35-28-26(34-29(35)23-13-19(15-33)7-11-25(23)38-5)30(37)36(24-14-21(32)8-6-17(24)3)27(28)22-10-9-20(31)12-18(22)4/h6-14,16,27H,1-5H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 175n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)


BindingDB Entry DOI: 10.7270/Q29P309G
More data for this
Ligand-Target Pair
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