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BDBM143676 US8969341, 183

SMILES: COc1nc(ncc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c[nH]c1=O)N(C)C

InChI Key: InChIKey=VFMRTUQQYDQOGC-QWVACARCNA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 143676   
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))
BDBM143676
PNG
(US8969341, 183)
Show SMILES COc1nc(ncc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c[nH]c1=O)N(C)C |r|
Show InChI InChI=1/C27H25ClN8O3/c1-14(2)22-20-21(33-36(22)19-13-31-27(34(3)4)32-25(19)39-5)26(38)35(18-10-17(28)12-30-24(18)37)23(20)16-8-6-15(11-29)7-9-16/h6-10,12-14,23H,1-5H3,(H,30,37)/t23-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 0.0970n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)