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BDBM50069793 CHEMBL3407561

SMILES: CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2ccccc2C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1

InChI Key: InChIKey=SSRSAHVFRVMXAG-GXPCTCNKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50069793   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MDM2-MDMX


(Homo sapiens (Human))
BDBM50069793
PNG
(CHEMBL3407561)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2ccccc2C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C36H40Cl2N2O6S/c1-35(2,3)47(45,46)21-30(22-12-13-22)40-32(23-14-16-25(37)17-15-23)28(24-8-7-9-26(38)18-24)19-36(4,34(40)44)20-31(41)39-29-11-6-5-10-27(29)33(42)43/h5-11,14-18,22,28,30,32H,12-13,19-21H2,1-4H3,(H,39,41)(H,42,43)/t28-,30-,32-,36-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.370n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair