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BDBM162141 US9051279, 124

SMILES: COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1

InChI Key: InChIKey=DPPMYLOYLBNZNP-ZJSFXZDWNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 162141   
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))
BDBM162141
PNG
(US9051279, 124)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6.1,3.54,;6.1,2,;4.77,1.23,;3.44,2,;2.1,1.23,;.77,2,;-.56,1.23,;-1.9,2,;-.56,-.31,;.77,-1.08,;.77,-2.62,;-.56,-3.39,;-.56,-4.93,;.77,-5.7,;.77,-7.24,;2.1,-4.93,;2.1,-3.39,;2.1,-.31,;3.44,-1.08,;4.77,-.31,;6.1,-1.08,;7.44,-.31,;8.77,-1.08,;7.44,1.23,;-1.9,-1.08,;-1.9,-2.62,;-3.23,-3.39,;-4.56,-2.62,;-4.56,-1.08,;-3.23,-.31,;-5.9,-3.39,;-5.9,-4.93,;-7.23,-2.62,;-7.23,-1.08,;-5.9,-.31,;-5.9,1.23,;-7.23,2,;-8.57,1.23,;-8.57,-.31,;-7.23,3.54,;-8.48,4.44,;-8,5.91,;-8.77,7.24,;-6.46,5.91,;-5.69,7.24,;-5.99,4.44,)|
Show InChI InChI=1/C36H44ClN5O4/c1-23(2)46-32-18-30-26(16-31(32)45-5)17-34(43)42(36(30)25-8-10-27(37)11-9-25)33-15-14-29(19-38-33)39(3)20-24-6-12-28(13-7-24)41-21-35(44)40(4)22-41/h8-11,14-16,18-19,23-24,28,36H,6-7,12-13,17,20-22H2,1-5H3/t24-,28-,36-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair