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BDBM162139 US9051279, 122

SMILES: CNC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(nc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1

InChI Key: InChIKey=XOJSJNMPMVGIEX-ZQSQGONONA-N

Data: 2 IC50

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 2 hits for monomerid = 162139   
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
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM162139
PNG
(US9051279, 122)
Show SMILES CNC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(nc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:6.5,wD:20.21,9.9,(-3.33,2.69,;-4.67,3.47,;-4.67,5,;-3.33,5.78,;-6,5.78,;-7.34,5,;-7.34,3.47,;-6,2.69,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-6,-3.47,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;4.67,2.69,;6,3.47,;6,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-8.67,1.15,;-8.67,2.69,)|
Show InChI InChI=1/C35H44ClN5O4/c1-22(2)45-31-18-29-25(16-30(31)44-5)17-34(43)41(35(29)24-8-10-26(36)11-9-24)32-15-14-28(19-39-32)40(4)21-23-6-12-27(13-7-23)38-20-33(42)37-3/h8-11,14-16,18-19,22-23,27,35,38H,6-7,12-13,17,20-21H2,1-5H3,(H,37,42)/t23-,27-,35-/s2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.34E+3n/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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162139
PNG
(US9051279, 122)
Show SMILES CNC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(nc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:6.5,wD:20.21,9.9,(-3.33,2.69,;-4.67,3.47,;-4.67,5,;-3.33,5.78,;-6,5.78,;-7.34,5,;-7.34,3.47,;-6,2.69,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-6,-3.47,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;4.67,2.69,;6,3.47,;6,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-8.67,1.15,;-8.67,2.69,)|
Show InChI InChI=1/C35H44ClN5O4/c1-22(2)45-31-18-29-25(16-30(31)44-5)17-34(43)41(35(29)24-8-10-26(36)11-9-24)32-15-14-28(19-39-32)40(4)21-23-6-12-27(13-7-23)38-20-33(42)37-3/h8-11,14-16,18-19,22-23,27,35,38H,6-7,12-13,17,20-21H2,1-5H3,(H,37,42)/t23-,27-,35-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.70n/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