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BDBM162061 US9051279, 76

SMILES: CCN(C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(cc1)N1[C@@H](c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O

InChI Key: InChIKey=XGTLWYWQZIIKPV-PSQJFDMINA-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 = 162061   
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))
BDBM162061
PNG
(US9051279, 76)
Show SMILES CCN(C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(cc1)N1[C@@H](c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O |r,wU:7.10,wD:20.22,4.3,(-7.34,-4.24,;-6,-3.47,;-6,-1.93,;-7.34,-1.16,;-7.34,.38,;-6,1.15,;-6,2.69,;-7.34,3.46,;-8.67,2.69,;-8.67,1.15,;-7.34,5,;-8.67,5.77,;-6,5.77,;-4.67,-1.16,;-3.33,-1.93,;-2,-1.16,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.77,;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,;6,3.46,;6,5,;3.33,3.46,;2,2.69,;.67,3.46,;-.67,2.69,;-2,3.46,)|
Show InChI InChI=1/C36H46ClN3O3/c1-7-39(23-25-8-14-29(15-9-25)38(4)5)30-16-18-31(19-17-30)40-35(41)21-27-20-33(42-6)34(43-24(2)3)22-32(27)36(40)26-10-12-28(37)13-11-26/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t25-,29-,36-/s2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.89E+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))
BDBM162061
PNG
(US9051279, 76)
Show SMILES CCN(C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(cc1)N1[C@@H](c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O |r,wU:7.10,wD:20.22,4.3,(-7.34,-4.24,;-6,-3.47,;-6,-1.93,;-7.34,-1.16,;-7.34,.38,;-6,1.15,;-6,2.69,;-7.34,3.46,;-8.67,2.69,;-8.67,1.15,;-7.34,5,;-8.67,5.77,;-6,5.77,;-4.67,-1.16,;-3.33,-1.93,;-2,-1.16,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.77,;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,;6,3.46,;6,5,;3.33,3.46,;2,2.69,;.67,3.46,;-.67,2.69,;-2,3.46,)|
Show InChI InChI=1/C36H46ClN3O3/c1-7-39(23-25-8-14-29(15-9-25)38(4)5)30-16-18-31(19-17-30)40-35(41)21-27-20-33(42-6)34(43-24(2)3)22-32(27)36(40)26-10-12-28(37)13-11-26/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t25-,29-,36-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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