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BDBM50437211 CHEMBL2402732

SMILES: CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cn1)C(O)=O

InChI Key: InChIKey=KCLGOJLRKLTZEP-QYOBBITRNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50437211   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50437211
PNG
(CHEMBL2402732)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1/C29H26Cl2F2N4O3/c1-28(2,3)12-21-29(14-34,18-9-8-16(30)11-20(18)32)23(17-5-4-6-19(31)24(17)33)25(36-21)26(38)37-22-10-7-15(13-35-22)27(39)40/h4-11,13,21,23,25,36H,12H2,1-3H3,(H,39,40)(H,35,37,38)/t21-,23-,25+,29-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by HTRF assay


J Med Chem 56: 5979-83 (2014)


Article DOI: 10.1021/jm400487c
BindingDB Entry DOI: 10.7270/Q2V40WMK
More data for this
Ligand-Target Pair