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PubMed code 18752944

Compile data set for download or QSAR
Found 2 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))
BDBM50266942
PNG
(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyp...)
Show SMILES COc1ccc(C2=NC(C(N2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C25H24Cl2N2O2/c1-15(2)31-22-14-20(30-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to MDM2


Bioorg Med Chem Lett 18: 5904-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.114
BindingDB Entry DOI: 10.7270/Q2W66MPF
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.36E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity to MDM2


Bioorg Med Chem Lett 18: 5904-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.114
BindingDB Entry DOI: 10.7270/Q2W66MPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%