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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
(Institution)
LigandTarget
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))
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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n/an/a 3.74n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339176
PNG
(CHEMBL1689406 | NA)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C76H108N18O19/c1-39(2)29-55(84-45(9)99)73(110)93-63(42(6)96)75(112)91-58(31-46-17-11-10-12-18-46)70(107)86-53(21-15-16-28-80-44(8)98)67(104)90-60(34-49-36-79-38-82-49)72(109)88-57(32-47-22-24-50(100)25-23-47)71(108)89-59(33-48-35-81-52-20-14-13-19-51(48)52)69(106)83-41(5)66(103)85-54(26-27-62(77)101)68(105)87-56(30-40(3)4)74(111)94-64(43(7)97)76(113)92-61(37-95)65(78)102/h10-14,17-20,22-25,35-36,38-43,53-61,63-64,81,95-97,100H,15-16,21,26-34,37H2,1-9H3,(H2,77,101)(H2,78,102)(H,79,82)(H,80,98)(H,83,106)(H,84,99)(H,85,103)(H,86,107)(H,87,105)(H,88,109)(H,89,108)(H,90,104)(H,91,112)(H,92,113)(H,93,110)(H,94,111)/t41-,42+,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,64-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129732
PNG
(US8815926, 11)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NCCO
Show InChI InChI=1S/C32H32Cl2N4O4/c1-17(2)37-29-27(36-30(37)24-15-20(7-11-26(24)42-5)31(40)35-12-13-39)32(41)38(25-16-22(34)8-6-18(25)3)28(29)23-10-9-21(33)14-19(23)4/h6-11,14-17,28,39H,12-13H2,1-5H3,(H,35,40)
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n/an/a 120n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143511
PNG
(US8969341, 126)
Show SMILES COc1ccc(CN)cc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1/C30H30Cl2N4O2/c1-16(2)28-26-27(34-36(28)24-13-19(15-33)7-11-25(24)38-5)30(37)35(23-14-21(32)8-6-17(23)3)29(26)22-10-9-20(31)12-18(22)4/h6-14,16,29H,15,33H2,1-5H3
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n/an/a 150n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339177
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C78H110N18O21/c1-40(2)30-56(85-45(8)101)75(114)95-65(42(5)98)77(116)93-59(32-46-16-10-9-11-17-46)71(110)88-55(26-28-64(104)105)70(109)92-61(35-49-37-81-39-84-49)74(113)90-58(33-47-21-23-50(102)24-22-47)72(111)91-60(34-48-36-83-52-19-13-12-18-51(48)52)73(112)86-53(20-14-15-29-82-44(7)100)68(107)87-54(25-27-63(79)103)69(108)89-57(31-41(3)4)76(115)96-66(43(6)99)78(117)94-62(38-97)67(80)106/h9-13,16-19,21-24,36-37,39-43,53-62,65-66,83,97-99,102H,14-15,20,25-35,38H2,1-8H3,(H2,79,103)(H2,80,106)(H,81,84)(H,82,100)(H,85,101)(H,86,112)(H,87,107)(H,88,110)(H,89,108)(H,90,113)(H,91,111)(H,92,109)(H,93,116)(H,94,117)(H,95,114)(H,96,115)(H,104,105)/t42-,43-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+,66+/m1/s1
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n/an/a 170n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

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
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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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129731
PNG
(US8815926, 10)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C31H30Cl2N4O3/c1-16(2)36-28-26(35-29(36)23-14-19(30(38)34-5)8-12-25(23)40-6)31(39)37(24-15-21(33)9-7-17(24)3)27(28)22-11-10-20(32)13-18(22)4/h7-16,27H,1-6H3,(H,34,38)
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n/an/a 179n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339178
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C76H107N17O20/c1-39(2)29-55(83-45(9)98)73(110)92-63(42(6)95)75(112)90-58(31-46-17-11-10-12-18-46)70(107)85-54(26-27-62(100)101)68(105)89-60(34-49-36-78-38-81-49)72(109)87-57(32-47-22-24-50(99)25-23-47)71(108)88-59(33-48-35-80-52-20-14-13-19-51(48)52)69(106)82-41(5)66(103)84-53(21-15-16-28-79-44(8)97)67(104)86-56(30-40(3)4)74(111)93-64(43(7)96)76(113)91-61(37-94)65(77)102/h10-14,17-20,22-25,35-36,38-43,53-61,63-64,80,94-96,99H,15-16,21,26-34,37H2,1-9H3,(H2,77,102)(H,78,81)(H,79,97)(H,82,106)(H,83,98)(H,84,103)(H,85,107)(H,86,104)(H,87,109)(H,88,108)(H,89,105)(H,90,112)(H,91,113)(H,92,110)(H,93,111)(H,100,101)/t41-,42+,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,64-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143461
PNG
(US8969341, 102)
Show SMILES COc1ccc(cc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NCCN1CCCC1
Show InChI InChI=1/C36H39Cl2N5O3/c1-21(2)33-31-32(36(45)42(28-20-26(38)10-8-22(28)3)34(31)27-12-11-25(37)18-23(27)4)40-43(33)29-19-24(9-13-30(29)46-5)35(44)39-14-17-41-15-6-7-16-41/h8-13,18-21,34H,6-7,14-17H2,1-5H3,(H,39,44)
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n/an/a 193n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339168
PNG
(CHEMBL1689400 | NA)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C92H128N26O20/c1-50(2)40-68(103-54(8)121)89(135)114-76(53(7)120)90(136)112-71(42-55-20-11-10-12-21-55)85(131)105-64(24-15-17-37-98-79(125)52(5)6)81(127)111-73(45-58-47-97-49-102-58)88(134)109-70(43-56-27-31-60(122)32-28-56)86(132)110-72(44-57-46-101-63-23-14-13-22-62(57)63)87(133)106-66(26-19-39-100-92(95)96)80(126)107-67(35-36-75(93)123)83(129)108-69(41-51(3)4)84(130)104-65(82(128)113-74(48-119)77(94)124)25-16-18-38-99-91(137)78-115-117-118(116-78)59-29-33-61(138-9)34-30-59/h10-14,20-23,27-34,46-47,49-51,53,64-74,76,101,119-120,122H,5,15-19,24-26,35-45,48H2,1-4,6-9H3,(H2,93,123)(H2,94,124)(H,97,102)(H,98,125)(H,99,137)(H,103,121)(H,104,130)(H,105,131)(H,106,133)(H,107,126)(H,108,129)(H,109,134)(H,110,132)(H,111,127)(H,112,136)(H,113,128)(H,114,135)(H4,95,96,100)/t53-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,76+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129733
PNG
(US8815926, 12)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NC(C)C
Show InChI InChI=1S/C33H34Cl2N4O3/c1-17(2)36-32(40)21-9-13-27(42-7)25(15-21)31-37-28-30(38(31)18(3)4)29(24-12-11-22(34)14-20(24)6)39(33(28)41)26-16-23(35)10-8-19(26)5/h8-18,29H,1-7H3,(H,36,40)
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n/an/a 217n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339163
PNG
(CHEMBL1689395 | N-((4S,7S,10S,13S,16S,19S,22S,25S)...)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C91H127N25O20/c1-49(2)39-67(101-54(9)120)86(131)111-74(52(7)118)88(133)109-70(41-55-21-12-11-13-22-55)82(127)103-65(26-16-18-36-96-78(123)51(5)6)80(125)108-72(44-58-46-95-48-100-58)85(130)106-69(42-56-28-32-60(121)33-29-56)83(128)107-71(43-57-45-99-63-24-15-14-23-62(57)63)84(129)104-64(25-17-19-37-97-90(135)77-113-115-116(114-77)59-30-34-61(136-10)35-31-59)79(124)102-66(27-20-38-98-91(93)94)81(126)105-68(40-50(3)4)87(132)112-75(53(8)119)89(134)110-73(47-117)76(92)122/h11-15,21-24,28-35,45-46,48-50,52-53,64-75,99,117-119,121H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,92,122)(H,95,100)(H,96,123)(H,97,135)(H,101,120)(H,102,124)(H,103,127)(H,104,129)(H,105,126)(H,106,130)(H,107,128)(H,108,125)(H,109,133)(H,110,134)(H,111,131)(H,112,132)(H4,93,94,98)/t52-,53-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129730
PNG
(US8815926, 9)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)N(C)C
Show InChI InChI=1S/C32H32Cl2N4O3/c1-17(2)37-29-27(35-30(37)24-15-20(31(39)36(5)6)9-13-26(24)41-7)32(40)38(25-16-22(34)10-8-18(25)3)28(29)23-12-11-21(33)14-19(23)4/h8-17,28H,1-7H3
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n/an/a 229n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339167
PNG
(CHEMBL1689399 | N-((4S,7S,10S,13S,16S,19S,22S,25S,...)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C90H125N25O19/c1-49(2)39-67(101-54(9)118)87(131)111-74(53(8)117)88(132)109-70(41-55-21-12-11-13-22-55)84(128)104-64(25-16-18-36-95-77(121)51(5)6)79(123)108-72(44-58-46-94-48-99-58)86(130)106-69(42-56-28-32-60(119)33-29-56)85(129)107-71(43-57-45-98-63-24-15-14-23-62(57)63)82(126)100-52(7)78(122)102-66(27-20-38-97-90(92)93)80(124)105-68(40-50(3)4)83(127)103-65(81(125)110-73(47-116)75(91)120)26-17-19-37-96-89(133)76-112-114-115(113-76)59-30-34-61(134-10)35-31-59/h11-15,21-24,28-35,45-46,48-50,52-53,64-74,98,116-117,119H,5,16-20,25-27,36-44,47H2,1-4,6-10H3,(H2,91,120)(H,94,99)(H,95,121)(H,96,133)(H,100,126)(H,101,118)(H,102,122)(H,103,127)(H,104,128)(H,105,124)(H,106,130)(H,107,129)(H,108,123)(H,109,132)(H,110,125)(H,111,131)(H4,92,93,97)/t52-,53+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339179
PNG
((8S,11S,14S,17S,20S,23S,26S,29S)-26-((1H-imidazol-...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C77H108N18O20/c1-40(2)30-56(85-45(8)99)76(114)95-65(43(6)97)77(115)93-59(32-46-16-10-9-11-17-46)73(111)88-55(26-28-64(102)103)70(108)92-61(35-49-37-80-39-83-49)75(113)90-58(33-47-21-23-50(100)24-22-47)74(112)91-60(34-48-36-82-52-19-13-12-18-51(48)52)71(109)84-42(5)67(105)86-54(25-27-63(78)101)69(107)89-57(31-41(3)4)72(110)87-53(20-14-15-29-81-44(7)98)68(106)94-62(38-96)66(79)104/h9-13,16-19,21-24,36-37,39-43,53-62,65,82,96-97,100H,14-15,20,25-35,38H2,1-8H3,(H2,78,101)(H2,79,104)(H,80,83)(H,81,98)(H,84,109)(H,85,99)(H,86,105)(H,87,110)(H,88,111)(H,89,107)(H,90,113)(H,91,112)(H,92,108)(H,93,115)(H,94,106)(H,95,114)(H,102,103)/t42-,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339174
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-17-((1H-indol-3...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C75H108N16O21/c1-38(2)31-54(81-44(9)96)72(109)90-62(41(6)93)74(111)88-57(33-45-17-11-10-12-18-45)70(107)84-53(27-29-61(99)100)67(104)83-51(21-15-16-30-78-43(8)95)66(103)86-56(34-46-22-24-48(97)25-23-46)71(108)87-58(35-47-36-79-50-20-14-13-19-49(47)50)69(106)80-40(5)65(102)82-52(26-28-60(76)98)68(105)85-55(32-39(3)4)73(110)91-63(42(7)94)75(112)89-59(37-92)64(77)101/h10-14,17-20,22-25,36,38-42,51-59,62-63,79,92-94,97H,15-16,21,26-35,37H2,1-9H3,(H2,76,98)(H2,77,101)(H,78,95)(H,80,106)(H,81,96)(H,82,102)(H,83,104)(H,84,107)(H,85,105)(H,86,103)(H,87,108)(H,88,111)(H,89,112)(H,90,109)(H,91,110)(H,99,100)/t40-,41+,42+,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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n/an/a 282n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339166
PNG
(CHEMBL1689398 | NA)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C89H121N23O20/c1-48(2)38-66(98-53(9)115)87(129)108-74(52(8)114)88(130)106-69(40-54-20-12-11-13-21-54)84(126)101-63(24-16-18-36-93-77(119)50(5)6)79(121)105-71(43-57-45-92-47-96-57)86(128)103-68(41-55-26-30-59(116)31-27-55)85(127)104-70(42-56-44-95-62-23-15-14-22-61(56)62)82(124)97-51(7)78(120)99-65(34-35-73(90)117)81(123)102-67(39-49(3)4)83(125)100-64(80(122)107-72(46-113)75(91)118)25-17-19-37-94-89(131)76-109-111-112(110-76)58-28-32-60(132-10)33-29-58/h11-15,20-23,26-33,44-45,47-49,51-52,63-72,74,95,113-114,116H,5,16-19,24-25,34-43,46H2,1-4,6-10H3,(H2,90,117)(H2,91,118)(H,92,96)(H,93,119)(H,94,131)(H,97,124)(H,98,115)(H,99,120)(H,100,125)(H,101,126)(H,102,123)(H,103,128)(H,104,127)(H,105,121)(H,106,130)(H,107,122)(H,108,129)/t51-,52+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129739
PNG
(US8815926, 18)
Show SMILES COc1ccc(CO)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C30H29Cl2N3O3/c1-16(2)34-28-26(33-29(34)23-13-19(15-36)7-11-25(23)38-5)30(37)35(24-14-21(32)8-6-17(24)3)27(28)22-10-9-20(31)12-18(22)4/h6-14,16,27,36H,15H2,1-5H3
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n/an/a 340n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339164
PNG
(CHEMBL1689396 | N-((4S,7S,10S,13S,16S,19S,22S,25S)...)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C93H132N28O19/c1-51(2)41-69(106-55(8)124)89(137)117-76(54(7)123)90(138)115-72(43-56-21-11-10-12-22-56)85(133)108-66(26-15-17-37-100-79(127)53(5)6)81(129)114-74(46-59-48-99-50-105-59)88(136)112-71(44-57-29-33-61(125)34-30-57)86(134)113-73(45-58-47-104-64-24-14-13-23-63(58)64)87(135)109-65(25-16-18-38-101-91(139)78-118-120-121(119-78)60-31-35-62(140-9)36-32-60)80(128)107-67(27-19-39-102-92(95)96)82(130)111-70(42-52(3)4)84(132)110-68(28-20-40-103-93(97)98)83(131)116-75(49-122)77(94)126/h10-14,21-24,29-36,47-48,50-52,54,65-76,104,122-123,125H,5,15-20,25-28,37-46,49H2,1-4,6-9H3,(H2,94,126)(H,99,105)(H,100,127)(H,101,139)(H,106,124)(H,107,128)(H,108,133)(H,109,135)(H,110,132)(H,111,130)(H,112,136)(H,113,134)(H,114,129)(H,115,138)(H,116,131)(H,117,137)(H4,95,96,102)(H4,97,98,103)/t54-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+/m1/s1
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n/an/a 390n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339170
PNG
(CHEMBL1689402 | NA)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C92H133N27O20/c1-50(2)43-68(104-54(8)122)88(136)115-75(53(7)121)89(137)113-71(45-55-21-11-10-12-22-55)85(133)107-63(25-15-17-39-99-78(126)52(5)6)79(127)105-66(28-20-42-102-92(97)98)81(129)111-70(46-56-29-33-59(123)34-30-56)86(134)112-72(47-57-48-103-62-24-14-13-23-61(57)62)87(135)108-65(27-19-41-101-91(95)96)80(128)109-67(37-38-74(93)124)83(131)110-69(44-51(3)4)84(132)106-64(82(130)114-73(49-120)76(94)125)26-16-18-40-100-90(138)77-116-118-119(117-77)58-31-35-60(139-9)36-32-58/h10-14,21-24,29-36,48,50-51,53,63-73,75,103,120-121,123H,5,15-20,25-28,37-47,49H2,1-4,6-9H3,(H2,93,124)(H2,94,125)(H,99,126)(H,100,138)(H,104,122)(H,105,127)(H,106,132)(H,107,133)(H,108,135)(H,109,128)(H,110,131)(H,111,129)(H,112,134)(H,113,137)(H,114,130)(H,115,136)(H4,95,96,101)(H4,97,98,102)/t53-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,75+/m1/s1
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n/an/a 410n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

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
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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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143507
PNG
(US8969341, 125)
Show SMILES COc1ccc(cc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C#N
Show InChI InChI=1/C30H26Cl2N4O2/c1-16(2)28-26-27(34-36(28)24-13-19(15-33)7-11-25(24)38-5)30(37)35(23-14-21(32)8-6-17(23)3)29(26)22-10-9-20(31)12-18(22)4/h6-14,16,29H,1-5H3
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n/an/a 452n/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 US8969341 (2015)

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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n/an/a 468n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143548
PNG
(US8969341, 143)
Show SMILES COc1ccccc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C
Show InChI InChI=1/C32H34Cl2N4O3/c1-19(2)30-28-29(35-38(30)24-9-7-8-10-26(24)40-6)32(39)37(31(28)23-13-11-21(33)17-20(23)3)25-18-22(34)12-14-27(25)41-16-15-36(4)5/h7-14,17-19,31H,15-16H2,1-6H3/t31-/s2
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n/an/a 489n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129790
PNG
(US8815926, 69)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H29Cl2FN4O4/c1-18(2)38-29-27(36-30(38)22-17-20(9-12-25(22)42-3)31(40)37-13-15-43-16-14-37)32(41)39(24-6-4-5-23(34)26(24)35)28(29)19-7-10-21(33)11-8-19/h4-12,17-18,28H,13-16H2,1-3H3
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n/an/a 490n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143465
PNG
(US8969341, 106)
Show SMILES COc1ccc(cc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)N(C)C
Show InChI InChI=1/C32H32Cl2N4O3/c1-17(2)29-27-28(35-38(29)25-15-20(31(39)36(5)6)9-13-26(25)41-7)32(40)37(24-16-22(34)10-8-18(24)3)30(27)23-12-11-21(33)14-19(23)4/h8-17,30H,1-7H3
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n/an/a 501n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143474
PNG
(US8969341, 114)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C30H29Cl2N5O4/c1-15(2)26-24-25(34-37(26)22-12-17(28(38)33-4)7-10-23(22)41-6)30(40)36(19-13-21(32)29(39)35(5)14-19)27(24)20-9-8-18(31)11-16(20)3/h7-15,27H,1-6H3,(H,33,38)
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n/an/a 505n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129728
PNG
(US8815926, 7)
Show SMILES COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)c(OC)n1
Show InChI InChI=1S/C28H27Cl2N5O3/c1-14(2)34-24-22(32-25(34)20-13-31-28(38-6)33-26(20)37-5)27(36)35(21-12-18(30)8-7-15(21)3)23(24)19-10-9-17(29)11-16(19)4/h7-14,23H,1-6H3
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n/an/a 530n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129726
PNG
(US8815926, 5)
Show SMILES COc1ccccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C29H27Cl2N3O2/c1-16(2)33-27-25(32-28(33)22-8-6-7-9-24(22)36-5)29(35)34(23-15-20(31)11-10-17(23)3)26(27)21-13-12-19(30)14-18(21)4/h6-16,26H,1-5H3
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n/an/a 534n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339162
PNG
((2S)-2-((8S,11S,14S,17S,20S)-17-((1H-imidazol-5-yl...)
Show SMILES COc1ccc(cc1)N1N=C2CC1(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCCNC2=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C90H123N21O21/c1-48(2)37-65(98-52(7)115)85(127)108-74(50(5)113)87(129)106-68(39-53-19-11-10-12-20-53)81(123)99-63-24-16-18-36-95-89(131)90(8)43-71(110-111(90)57-27-31-59(132-9)32-28-57)77(119)94-35-17-15-23-62(78(120)101-64(33-34-73(91)117)80(122)102-66(38-49(3)4)86(128)109-75(51(6)114)88(130)107-72(46-112)76(92)118)100-83(125)69(41-55-44-96-61-22-14-13-21-60(55)61)104-82(124)67(40-54-25-29-58(116)30-26-54)103-84(126)70(105-79(63)121)42-56-45-93-47-97-56/h10-14,19-22,25-32,44-45,47-51,62-70,72,74-75,96,112-114,116H,15-18,23-24,33-43,46H2,1-9H3,(H2,91,117)(H2,92,118)(H,93,97)(H,94,119)(H,95,131)(H,98,115)(H,99,123)(H,100,125)(H,101,120)(H,102,122)(H,103,126)(H,104,124)(H,105,121)(H,106,129)(H,107,130)(H,108,127)(H,109,128)/t50-,51-,62+,63+,64+,65+,66+,67+,68+,69+,70+,72+,74+,75+,90?/m1/s1
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n/an/a 540n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339161
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C73H101N17O20/c1-36(2)26-51(80-41(8)94)70(107)89-60(39(6)92)72(109)87-54(28-42-14-10-9-11-15-42)67(104)82-50(23-25-59(97)98)65(102)86-56(31-45-33-76-35-78-45)69(106)84-53(29-43-18-20-46(95)21-19-43)68(105)85-55(30-44-32-77-48-17-13-12-16-47(44)48)66(103)79-38(5)63(100)81-49(22-24-58(74)96)64(101)83-52(27-37(3)4)71(108)90-61(40(7)93)73(110)88-57(34-91)62(75)99/h9-21,32-33,35-40,49-57,60-61,77,91-93,95H,22-31,34H2,1-8H3,(H2,74,96)(H2,75,99)(H,76,78)(H,79,103)(H,80,94)(H,81,100)(H,82,104)(H,83,101)(H,84,106)(H,85,105)(H,86,102)(H,87,109)(H,88,110)(H,89,107)(H,90,108)(H,97,98)/t38-,39+,40+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339169
PNG
(CHEMBL1689401 | N-((4S,7S,10S,13S,16S,19S,22S,25S,...)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C90H130N26O19/c1-49(2)42-67(102-54(9)119)86(132)112-73(53(8)118)87(133)110-70(44-55-22-12-11-13-23-55)84(130)106-63(26-16-18-38-96-76(122)51(5)6)78(124)104-66(29-21-41-99-90(94)95)80(126)108-69(45-56-30-34-59(120)35-31-56)85(131)109-71(46-57-47-100-62-25-15-14-24-61(57)62)82(128)101-52(7)77(123)103-65(28-20-40-98-89(92)93)79(125)107-68(43-50(3)4)83(129)105-64(81(127)111-72(48-117)74(91)121)27-17-19-39-97-88(134)75-113-115-116(114-75)58-32-36-60(135-10)37-33-58/h11-15,22-25,30-37,47,49-50,52-53,63-73,100,117-118,120H,5,16-21,26-29,38-46,48H2,1-4,6-10H3,(H2,91,121)(H,96,122)(H,97,134)(H,101,128)(H,102,119)(H,103,123)(H,104,124)(H,105,129)(H,106,130)(H,107,125)(H,108,126)(H,109,131)(H,110,133)(H,111,127)(H,112,132)(H4,92,93,98)(H4,94,95,99)/t52-,53+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143418
PNG
(US8969341, 67)
Show SMILES COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(F)c(F)c1)c1cccc(Cl)c1F
Show InChI InChI=1/C27H21ClF3N3O2/c1-14(2)25-22-24(32-34(25)19-8-4-5-10-21(19)36-3)27(35)33(20-9-6-7-16(28)23(20)31)26(22)15-11-12-17(29)18(30)13-15/h4-14,26H,1-3H3
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n/an/a 585n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143473
PNG
(US8969341, 113)
Show SMILES CCn1cc(cc(Cl)c1=O)N1C(c2c(nn(c2C(C)C)-c2ccccc2OC)C1=O)c1ccc(Cl)cc1C
Show InChI InChI=1/C29H28Cl2N4O3/c1-6-33-15-19(14-21(31)28(33)36)34-27(20-12-11-18(30)13-17(20)4)24-25(29(34)37)32-35(26(24)16(2)3)22-9-7-8-10-23(22)38-5/h7-16,27H,6H2,1-5H3
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n/an/a 625n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143457
PNG
(US8969341, 101)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1/C31H30Cl2N4O3/c1-16(2)28-26-27(35-37(28)24-14-19(30(38)34-5)8-12-25(24)40-6)31(39)36(23-15-21(33)9-7-17(23)3)29(26)22-11-10-20(32)13-18(22)4/h7-16,29H,1-6H3,(H,34,38)
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n/an/a 650n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143546
PNG
(US8969341, 141)
Show SMILES COc1ccccc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1/C29H27Cl2N3O2/c1-16(2)27-25-26(32-34(27)22-8-6-7-9-24(22)36-5)29(35)33(23-15-20(31)11-10-17(23)3)28(25)21-13-12-19(30)14-18(21)4/h6-16,28H,1-5H3/t28-/s2
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n/an/a 700n/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 US8969341 (2015)

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
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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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129785
PNG
(US8815926, 64)
Show SMILES COc1ccccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
Show InChI InChI=1S/C28H24Cl2FN3O2/c1-15(2)33-26-24(32-27(33)19-8-5-6-11-22(19)36-4)28(35)34(21-10-7-9-20(30)23(21)31)25(26)18-13-12-17(29)14-16(18)3/h5-15,25H,1-4H3
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n/an/a 710n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129741
PNG
(US8815926, 20)
Show SMILES COc1ccc(CO)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F
Show InChI InChI=1S/C28H24Cl2FN3O3/c1-15(2)33-26-24(32-27(33)19-13-16(14-35)7-12-22(19)37-3)28(36)34(21-6-4-5-20(30)23(21)31)25(26)17-8-10-18(29)11-9-17/h4-13,15,25,35H,14H2,1-3H3
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n/an/a 760n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM129736
PNG
(US8815926, 15)
Show SMILES COc1cnccc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C28H26Cl2N4O2/c1-15(2)33-26-24(32-27(33)21-10-11-31-14-23(21)36-5)28(35)34(22-13-19(30)7-6-16(22)3)25(26)20-9-8-18(29)12-17(20)4/h6-15,25H,1-5H3
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n/an/a 790n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339171
PNG
(CHEMBL1689403 | NA)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C92H132ClN27O20/c1-49(2)41-68(105-53(8)123)88(137)116-75(52(7)122)89(138)114-71(43-54-19-11-10-12-20-54)85(134)108-62(21-13-15-37-100-78(127)51(5)6)79(128)106-65(24-18-40-103-92(98)99)81(130)112-70(44-55-25-30-59(124)31-26-55)86(135)113-72(45-56-47-104-67-46-57(93)27-34-61(56)67)87(136)109-64(23-17-39-102-91(96)97)80(129)110-66(35-36-74(94)125)83(132)111-69(42-50(3)4)84(133)107-63(82(131)115-73(48-121)76(95)126)22-14-16-38-101-90(139)77-117-119-120(118-77)58-28-32-60(140-9)33-29-58/h10-12,19-20,25-34,46-47,49-50,52,62-66,68-73,75,104,121-122,124H,5,13-18,21-24,35-45,48H2,1-4,6-9H3,(H2,94,125)(H2,95,126)(H,100,127)(H,101,139)(H,105,123)(H,106,128)(H,107,133)(H,108,134)(H,109,136)(H,110,129)(H,111,132)(H,112,130)(H,113,135)(H,114,138)(H,115,131)(H,116,137)(H4,96,97,102)(H4,98,99,103)/t52-,62+,63+,64+,65+,66+,68+,69+,70+,71+,72+,73+,75+/m1/s1
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n/an/a 810n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143472
PNG
(US8969341, 112)
Show SMILES COCCn1cc(cc(Cl)c1=O)N1C(c2c(nn(c2C(C)C)-c2ccccc2OC)C1=O)c1ccc(Cl)cc1C
Show InChI InChI=1/C30H30Cl2N4O4/c1-17(2)27-25-26(33-36(27)23-8-6-7-9-24(23)40-5)30(38)35(28(25)21-11-10-19(31)14-18(21)3)20-15-22(32)29(37)34(16-20)12-13-39-4/h6-11,14-17,28H,12-13H2,1-5H3
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n/an/a 838n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM130035
PNG
(US8815926, 317)
Show SMILES COC[C@@H](C)n1c(nc2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)-c1cnc(OC)nc1OC
Show InChI InChI=1S/C27H24Cl2FN5O4/c1-14(13-37-2)34-23-21(32-24(34)18-12-31-27(39-4)33-25(18)38-3)26(36)35(17-9-10-20(30)19(29)11-17)22(23)15-5-7-16(28)8-6-15/h5-12,14,22H,13H2,1-4H3/t14-,22+/m1/s1
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n/an/a 950n/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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143469
PNG
(US8969341, 110)
Show SMILES COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C28H26Cl2N4O3/c1-15(2)25-23-24(31-34(25)21-8-6-7-9-22(21)37-5)28(36)33(18-13-20(30)27(35)32(4)14-18)26(23)19-11-10-17(29)12-16(19)3/h6-15,26H,1-5H3
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n/an/a 1.13E+3n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143463
PNG
(US8969341, 104)
Show SMILES COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)cc(c1)C(N)=O
Show InChI InChI=1/C29H26Cl2N4O3/c1-15(2)26-24-25(33-35(26)22-7-5-6-8-23(22)38-4)29(37)34(20-13-17(28(32)36)12-19(31)14-20)27(24)21-10-9-18(30)11-16(21)3/h5-15,27H,1-4H3,(H2,32,36)
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n/an/a 1.16E+3n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143499
PNG
(US8969341, 124)
Show SMILES COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1OCc1nn[nH]n1
Show InChI InChI=1/C29H25Cl2N7O3/c1-16(2)27-25-26(34-38(27)20-6-4-5-7-22(20)40-3)29(39)37(28(25)17-8-10-18(30)11-9-17)21-14-19(31)12-13-23(21)41-15-24-32-35-36-33-24/h4-14,16,28H,15H2,1-3H3,(H,32,33,35,36)
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n/an/a 1.20E+3n/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 US8969341 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM143444
PNG
(US8969341, 92)
Show SMILES COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C
Show InChI InChI=1/C32H34Cl2N4O3/c1-19(2)30-28-29(35-38(30)24-9-7-8-10-26(24)40-6)32(39)37(31(28)23-13-11-21(33)17-20(23)3)25-18-22(34)12-14-27(25)41-16-15-36(4)5/h7-14,17-19,31H,15-16H2,1-6H3
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n/an/a 1.32E+3n/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 US8969341 (2015)

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)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM162221
PNG
(US9051279, 204)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC1CCC1)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1
Show InChI InChI=1/C37H44ClN5O4/c1-40(21-24-7-13-28(14-8-24)42-22-36(45)41(2)23-42)34-16-15-29(20-39-34)43-35(44)18-26-17-32(46-3)33(47-30-5-4-6-30)19-31(26)37(43)25-9-11-27(38)12-10-25/h9-12,15-17,19-20,24,28,30,37H,4-8,13-14,18,21-23H2,1-3H3/t24-,28-,37-/s2
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n/an/a 1.36E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)

More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (human))
BDBM50339173
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C77H108N18O20/c1-40(2)30-56(85-45(8)99)72(110)87-53(20-14-15-29-81-44(7)98)68(106)90-58(32-46-16-10-9-11-17-46)73(111)88-55(26-28-64(102)103)70(108)93-61(35-49-37-80-39-83-49)75(113)91-59(33-47-21-23-50(100)24-22-47)74(112)92-60(34-48-36-82-52-19-13-12-18-51(48)52)71(109)84-42(5)67(105)86-54(25-27-63(78)101)69(107)89-57(31-41(3)4)76(114)95-65(43(6)97)77(115)94-62(38-96)66(79)104/h9-13,16-19,21-24,36-37,39-43,53-62,65,82,96-97,100H,14-15,20,25-35,38H2,1-8H3,(H2,78,101)(H2,79,104)(H,80,83)(H,81,98)(H,84,109)(H,85,99)(H,86,105)(H,87,110)(H,88,111)(H,89,107)(H,90,106)(H,91,113)(H,92,112)(H,93,108)(H,94,115)(H,95,114)(H,102,103)/t42-,43+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...


Bioorg Med Chem Lett 21: 1472-5 (2011)

More data for this
Ligand-Target Pair
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