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Compile Data Set for Download or QSAR

Found 357 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))
CHEMBL4078749
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.15E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4067165
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.17E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50234681
PNG
(CHEMBL4081794)
Show SMILES CCCCCNC(c1nnnn1Cc1ccc(OCc2ccccc2F)cc1)c1c([nH]c2cc(Cl)ccc12)C(O)=O
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.29E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL




Eur J Med Chem 126: 384-407 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ1381
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4089364
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4096099
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.71E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4098976
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.91E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4104786
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.76E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50234695
PNG
(CHEMBL4065823)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1Cc1ccc(OCc2ccccc2F)cc1
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
6.99E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL




Eur J Med Chem 126: 384-407 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ1381
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4085272
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.75E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4104110
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.24E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4072678
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.47E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50234678
PNG
(CHEMBL4098742)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(NC1CCCC1)c1nnnn1-c1cccc(OCc2ccccc2)c1
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.62E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL




Eur J Med Chem 126: 384-407 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ1381
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4093959
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.63E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4094325
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.74E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4099580
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.96E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4084081
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.53E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
CHEMBL4077617
PNG
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.02E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00104
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50234674
PNG
(CHEMBL4086384)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1-c1ccc(Cl)cc1
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.40E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL




Eur J Med Chem 126: 384-407 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ1381
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50234680
PNG
(CHEMBL4100330)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1-c1ccc(Cl)cc1
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.60E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL




Eur J Med Chem 126: 384-407 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ1381
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50234679
PNG
(CHEMBL4087286)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1-c1ccc(cc1)C(C)C
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL




Eur J Med Chem 126: 384-407 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ1381
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241617
PNG
(CHEMBL4068667)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
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)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM50241630
PNG
(CHEMBL4065471)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241631
PNG
(CHEMBL4095983)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241627
PNG
(CHEMBL4105199)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241621
PNG
(CHEMBL4095042)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241626
PNG
(CHEMBL4080951)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241618
PNG
(CHEMBL4064911)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241629
PNG
(CHEMBL4100348)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50339176
PNG
(CHEMBL1689406)
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 |r|
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
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
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)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
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)


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


(Homo sapiens (Human))
BDBM50241623
PNG
(CHEMBL4102803)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 136n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241622
PNG
(CHEMBL4074577)
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
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
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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)


BindingDB Entry DOI: 10.7270/Q2K35SC8
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 |r|
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)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
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)


BindingDB Entry DOI: 10.7270/Q29P309G
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)


BindingDB Entry DOI: 10.7270/Q29P309G
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 |r|
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)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
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)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241620
PNG
(CHEMBL4073512)
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n/an/a 207n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50339168
PNG
(CHEMBL1689400)
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 |r,wU:78.90,52.66,32.39,20.22,117.128,102.116,wD:88.104,66.79,41.50,24.30,132.138,113.120,126.134,(41.59,2.61,;40.06,2.76,;39.16,1.52,;39.79,.11,;38.89,-1.13,;37.36,-.97,;36.73,.43,;37.62,1.67,;36.46,-2.21,;34.92,-2.22,;34.45,-3.68,;35.7,-4.58,;36.94,-3.67,;35.7,-6.12,;37.03,-6.88,;34.37,-6.89,;34.37,-8.42,;33.04,-9.19,;33.04,-10.73,;31.71,-11.5,;31.71,-13.04,;30.37,-13.81,;29.04,-13.04,;29.04,-11.49,;27.71,-13.82,;27.71,-15.35,;29.04,-16.13,;29.04,-17.67,;30.38,-15.35,;26.37,-13.05,;25.03,-13.82,;25.03,-15.36,;23.7,-13.05,;23.7,-11.5,;25.03,-10.73,;25.03,-9.19,;23.69,-8.42,;26.37,-8.42,;22.36,-13.83,;21.03,-13.05,;21.03,-11.51,;19.69,-13.82,;19.69,-15.36,;21.02,-16.13,;21.02,-17.67,;22.35,-18.44,;22.35,-19.97,;23.68,-20.74,;21.02,-20.74,;18.36,-13.06,;17.02,-13.83,;17.02,-15.37,;15.68,-13.06,;15.68,-11.51,;17.02,-10.75,;18.42,-11.37,;19.46,-10.22,;18.68,-8.88,;19.16,-7.42,;18.12,-6.27,;16.62,-6.59,;16.14,-8.06,;17.17,-9.21,;14.34,-13.83,;13.01,-13.06,;13.01,-11.52,;11.68,-13.84,;11.68,-15.38,;13.01,-16.15,;14.35,-15.37,;15.69,-16.14,;15.69,-17.68,;17.02,-18.45,;14.36,-18.45,;13.02,-17.69,;10.34,-13.06,;9.01,-13.83,;9.01,-15.37,;7.67,-13.07,;7.67,-11.53,;9.01,-10.75,;10.41,-11.37,;11.44,-10.23,;10.67,-8.89,;9.16,-9.22,;6.33,-13.84,;5,-13.07,;5,-11.52,;3.67,-13.85,;3.67,-15.38,;2.34,-16.15,;2.34,-17.69,;1.01,-18.46,;1.01,-20,;-.32,-20.77,;-1.65,-20,;-.32,-22.3,;-1.65,-23.07,;1.01,-23.07,;2.33,-13.08,;.99,-13.85,;.99,-15.39,;-.34,-13.08,;-.34,-11.53,;.99,-10.76,;2.32,-11.53,;3.66,-10.76,;3.66,-9.21,;2.32,-8.45,;.98,-9.22,;-1.69,-13.85,;-3.02,-13.08,;-3.02,-11.54,;-4.35,-13.85,;-5.68,-13.08,;-7.03,-13.85,;-7.03,-15.4,;-8.36,-13.08,;-8.36,-11.54,;-7.03,-10.77,;-7.03,-9.23,;-5.69,-11.54,;-9.7,-13.85,;-11.03,-13.09,;-12.36,-13.86,;-11.03,-11.55,;-4.35,-15.39,;-5.68,-16.17,;-3.01,-16.16,;33.05,-13.8,;33.05,-15.34,;34.39,-13.03,;35.72,-13.81,;35.72,-15.35,;37.06,-16.12,;37.06,-13.03,;38.39,-13.8,;37.06,-11.49,)|
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)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50241628
PNG
(CHEMBL4084848)
PDB
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Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL




J Med Chem 60: 8115-8130 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00912
BindingDB Entry DOI: 10.7270/Q2348NJ0
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)


BindingDB Entry DOI: 10.7270/Q29P309G
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 |r,wU:50.62,24.38,104.110,123.129,124.132,89.100,74.88,wD:60.76,38.51,20.22,115.121,130.136,85.92,98.106,(50.55,-56.08,;52.09,-56.23,;52.99,-54.99,;52.36,-53.58,;53.26,-52.33,;54.79,-52.5,;55.42,-53.89,;54.53,-55.14,;55.7,-51.25,;57.24,-51.25,;57.71,-49.78,;56.46,-48.88,;55.22,-49.78,;56.46,-47.34,;57.79,-46.57,;55.12,-46.57,;55.12,-45.03,;53.79,-44.26,;53.79,-42.72,;52.45,-41.95,;52.45,-40.41,;51.12,-39.65,;49.78,-40.42,;49.78,-41.95,;48.45,-39.65,;48.45,-38.11,;49.78,-37.34,;51.18,-37.96,;52.21,-36.82,;51.44,-35.48,;51.92,-34.01,;50.88,-32.87,;49.38,-33.19,;48.9,-34.66,;49.94,-35.8,;47.11,-40.42,;45.78,-39.66,;45.78,-38.11,;44.45,-40.43,;44.45,-41.96,;45.78,-42.74,;47.12,-41.96,;48.46,-42.73,;48.45,-44.26,;49.79,-45.03,;47.12,-45.04,;45.79,-44.27,;43.12,-39.65,;41.77,-40.42,;41.77,-41.97,;40.45,-39.66,;40.45,-38.11,;41.77,-37.34,;43.18,-37.97,;44.21,-36.82,;43.44,-35.49,;41.93,-35.81,;39.11,-40.43,;37.78,-39.66,;37.78,-38.12,;36.44,-40.44,;36.45,-41.98,;37.78,-42.74,;37.78,-44.28,;39.12,-45.05,;39.12,-46.59,;40.45,-47.36,;41.79,-46.59,;40.46,-48.9,;41.79,-49.67,;39.12,-49.67,;35.11,-39.67,;33.77,-40.44,;33.77,-41.98,;32.45,-39.67,;32.45,-38.13,;33.77,-37.36,;35.11,-38.12,;36.44,-37.35,;36.44,-35.81,;35.1,-35.04,;33.77,-35.82,;31.11,-40.44,;29.78,-39.67,;29.78,-38.13,;28.44,-40.44,;27.11,-39.67,;25.77,-40.44,;25.77,-41.98,;24.45,-39.67,;24.45,-38.14,;25.77,-37.37,;25.77,-35.82,;27.1,-38.13,;23.11,-40.44,;21.77,-39.67,;20.44,-40.44,;21.77,-38.13,;28.44,-41.98,;27.11,-42.75,;29.78,-42.75,;53.78,-39.64,;53.78,-38.1,;55.11,-40.41,;56.45,-39.64,;56.45,-38.1,;57.79,-37.33,;57.79,-35.79,;59.11,-35.02,;59.11,-33.47,;57.78,-32.7,;60.44,-32.71,;57.79,-40.41,;57.79,-41.95,;59.12,-39.64,;60.45,-40.41,;60.45,-41.94,;61.78,-42.71,;61.78,-44.25,;63.13,-41.94,;61.78,-39.63,;61.78,-38.09,;63.12,-40.4,;64.46,-39.63,;64.46,-38.08,;63.12,-37.32,;65.78,-37.31,;65.78,-40.39,;65.78,-41.94,;67.12,-39.62,;68.45,-40.4,;68.45,-41.93,;69.79,-42.71,;69.79,-39.63,;71.12,-40.39,;69.79,-38.08,)|
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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UniChem
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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)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
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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US Patent
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)


BindingDB Entry DOI: 10.7270/Q29P309G
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 |r,wU:74.86,48.62,32.41,20.22,113.124,98.112,wD:84.100,62.75,43.45,24.30,128.134,109.116,122.130,(45.65,16.47,;44.12,16.62,;43.22,15.38,;43.85,13.98,;42.95,12.74,;41.43,12.9,;40.79,14.29,;41.69,15.54,;40.52,11.65,;38.99,11.65,;38.51,10.19,;39.76,9.29,;41,10.19,;39.76,7.76,;41.09,6.97,;38.43,6.97,;38.43,5.43,;37.1,4.66,;37.1,3.13,;35.77,2.36,;35.78,.82,;34.44,.05,;33.11,.81,;33.11,2.36,;31.77,.04,;31.77,-1.5,;33.11,-2.27,;33.11,-3.81,;34.45,-1.5,;30.43,.81,;29.09,.04,;29.09,-1.5,;27.76,.81,;27.76,2.35,;29.09,3.13,;29.09,4.66,;30.42,5.44,;30.41,6.97,;31.74,7.75,;29.08,7.74,;26.43,.03,;25.09,.81,;25.09,2.35,;23.75,.03,;23.75,-1.51,;22.42,.8,;21.08,.03,;21.08,-1.51,;19.75,.8,;19.75,2.35,;21.08,3.11,;22.49,2.49,;23.52,3.64,;22.74,4.97,;23.22,6.44,;22.19,7.59,;20.68,7.27,;20.2,5.8,;21.24,4.65,;18.41,.02,;17.08,.8,;17.08,2.34,;15.74,.02,;15.74,-1.52,;17.08,-2.29,;18.41,-1.52,;19.75,-2.28,;19.75,-3.83,;21.09,-4.59,;18.42,-4.6,;17.08,-3.83,;14.4,.79,;13.07,.02,;13.07,-1.52,;11.74,.79,;11.74,2.33,;13.07,3.1,;14.48,2.48,;15.5,3.63,;14.73,4.97,;13.22,4.64,;10.4,.02,;9.07,.78,;9.07,2.33,;7.73,.01,;7.73,-1.53,;6.4,-2.3,;6.4,-3.83,;5.07,-4.6,;5.07,-6.14,;3.74,-6.91,;2.41,-6.14,;3.75,-8.45,;2.42,-9.22,;5.08,-9.21,;6.39,.78,;5.05,.01,;5.05,-1.53,;3.72,.78,;3.72,2.32,;5.05,3.1,;6.39,2.33,;7.73,3.1,;7.72,4.64,;6.39,5.41,;5.05,4.64,;2.38,0,;1.05,.78,;1.05,2.32,;-.29,.01,;-1.62,.77,;-2.96,.01,;-2.96,-1.54,;-4.3,.77,;-4.3,2.32,;-2.97,3.08,;-2.97,4.63,;-1.63,2.32,;-5.63,0,;-6.96,.77,;-8.29,0,;-6.96,2.31,;-.29,-1.54,;-1.62,-2.31,;1.05,-2.31,;37.11,.05,;37.11,-1.49,;38.45,.82,;39.78,.05,;39.78,-1.49,;41.12,-2.26,;41.12,.83,;42.46,.05,;41.12,2.37,)|
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)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
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 |r|
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)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
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 |r|
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)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM50339166
PNG
(CHEMBL1689398)
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 |r|
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)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
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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US Patent
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)


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