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PubMed code 28400230

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50240296
PNG
(CHEMBL4095506)
Show SMILES CC(C)C[C@H](N)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 |r|
Show InChI InChI=1S/C71H99N17O19/c1-35(2)25-46(72)62(98)87-58(38(6)90)70(106)85-52(27-40-13-9-8-10-14-40)66(102)80-49(22-24-57(94)95)64(100)84-54(30-43-32-75-34-77-43)68(104)82-51(28-41-17-19-44(92)20-18-41)67(103)83-53(29-42-31-76-47-16-12-11-15-45(42)47)65(101)78-37(5)61(97)79-48(21-23-56(73)93)63(99)81-50(26-36(3)4)69(105)88-59(39(7)91)71(107)86-55(33-89)60(74)96/h8-20,31-32,34-39,46,48-55,58-59,76,89-92H,21-30,33,72H2,1-7H3,(H2,73,93)(H2,74,96)(H,75,77)(H,78,101)(H,79,97)(H,80,102)(H,81,99)(H,82,104)(H,83,103)(H,84,100)(H,85,106)(H,86,107)(H,87,98)(H,88,105)(H,94,95)/t37-,38+,39+,46-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-/m0/s1
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Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled P4 peptide binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance method


Bioorg Med Chem Lett 27: 2571-2574 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.082
BindingDB Entry DOI: 10.7270/Q2571F44
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM29643
PNG
((6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1
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MCE
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Article
PubMed
n/an/a 175n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled L-p53 binding to L-MDM2 (25 to 109 residues) (unknown origin) by FAM labeled P4 peptide based fluorescence polarization...


Bioorg Med Chem Lett 27: 2571-2574 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.082
BindingDB Entry DOI: 10.7270/Q2571F44
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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Article
PubMed
n/an/a 195n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled D-p53 binding to D-MDM2 (25 to 109 residues) (unknown origin) by FAM labeled P4 peptide based fluorescence polarization...


Bioorg Med Chem Lett 27: 2571-2574 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.082
BindingDB Entry DOI: 10.7270/Q2571F44
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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Article
PubMed
n/an/a 215n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled L-p53 binding to L-MDM2 (25 to 109 residues) (unknown origin) by FAM labeled P4 peptide based fluorescence polarization...


Bioorg Med Chem Lett 27: 2571-2574 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.082
BindingDB Entry DOI: 10.7270/Q2571F44
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50240295
PNG
(CHEMBL4068121)
Show SMILES CN1CCc2cccc3c4C(=O)C(=O)C=Cc4cc1c23 |c:14|
Show InChI InChI=1S/C17H13NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,9H,7-8H2,1H3
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled P4 peptide binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance method


Bioorg Med Chem Lett 27: 2571-2574 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.082
BindingDB Entry DOI: 10.7270/Q2571F44
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM22774
PNG
(1,4-Benzoquinone | Benzil-related compound, 53 | C...)
Show SMILES O=C1C=CC(=O)C=C1 |c:2,6|
Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
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n/an/a 1.39E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled p53 binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance method


Bioorg Med Chem Lett 27: 2571-2574 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.082
BindingDB Entry DOI: 10.7270/Q2571F44
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled P4 peptide binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance method


Bioorg Med Chem Lett 27: 2571-2574 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.082
BindingDB Entry DOI: 10.7270/Q2571F44
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of biotin-labelled p53 binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance method


Bioorg Med Chem Lett 27: 2571-2574 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.082
BindingDB Entry DOI: 10.7270/Q2571F44
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%