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BDBM50165705 CHEMBL3799552

SMILES: CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(CN)n1)C(=O)c1cnccc1C(F)(F)F

InChI Key: InChIKey=HXNFYJAIKLXWRU-KSFDGXGSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50165705   
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))
BDBM50165705
PNG
(CHEMBL3799552)
Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(CN)n1)C(=O)c1cnccc1C(F)(F)F |r|
Show InChI InChI=1S/C13H17NO8/c15-5-9-10(18)11(19)12(20)13(21-9)22-14-4-6-1-2-7(16)8(17)3-6/h1-4,9-13,15-20H,5H2/b14-4+/t9?,10?,11-,12?,13-/m0/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 173n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay


Bioorg Med Chem Lett 26: 2735-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD
More data for this
Ligand-Target Pair