BindingDB logo
myBDB logout

BDBM161951 US9051279, 61

SMILES: CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)NC1CCNCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=KHAYFXPJPHDPRJ-KGUSEGQSSA-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 = 161951   
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))
BDBM161951
PNG
(US9051279, 61)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)NC1CCNCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H40ClN3O3/c1-5-21(2)40-31-20-29-25(18-30(31)39-4)19-32(38)37(33(29)24-6-10-26(34)11-7-24)28-12-8-23(9-13-28)22(3)36-27-14-16-35-17-15-27/h6-13,18,20-22,27,33,35-36H,5,14-17,19H2,1-4H3/t21-,22?,33?/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.08E+4n/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))
BDBM161951
PNG
(US9051279, 61)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)C(C)NC1CCNCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C33H40ClN3O3/c1-5-21(2)40-31-20-29-25(18-30(31)39-4)19-32(38)37(33(29)24-6-10-26(34)11-7-24)28-12-8-23(9-13-28)22(3)36-27-14-16-35-17-15-27/h6-13,18,20-22,27,33,35-36H,5,14-17,19H2,1-4H3/t21-,22?,33?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 42.6n/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