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BDBM161880 US9051279, 51

SMILES: CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@H](N)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=NKIPMVCPPOTZLF-VRLGRIDKNA-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 = 161880   
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))
BDBM161880
PNG
(US9051279, 51)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@H](N)CC1)c1ccc(Cl)cc1 |r,wU:27.29,wD:2.2,30.33,(9.34,1.54,;8,.77,;6.67,1.54,;6.67,3.08,;5.33,.77,;4,1.54,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;1.33,3.08,;2.67,3.85,;4,3.08,;5.33,3.85,;5.33,5.39,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-.77,;-8,.77,;-9.34,1.54,;-9.34,3.08,;-8,3.85,;-8,5.39,;-6.67,3.08,;-6.67,1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-3.08,;1.33,-1.54,)|
Show InChI InChI=1/C34H42ClN3O3/c1-5-22(2)41-32-20-30-25(18-31(32)40-4)19-33(39)38(34(30)24-8-10-26(35)11-9-24)29-16-14-28(15-17-29)37(3)21-23-6-12-27(36)13-7-23/h8-11,14-18,20,22-23,27,34H,5-7,12-13,19,21,36H2,1-4H3/t22-,23-,27-,34?/s2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.04E+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))
BDBM161880
PNG
(US9051279, 51)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@H](N)CC1)c1ccc(Cl)cc1 |r,wU:27.29,wD:2.2,30.33,(9.34,1.54,;8,.77,;6.67,1.54,;6.67,3.08,;5.33,.77,;4,1.54,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;1.33,3.08,;2.67,3.85,;4,3.08,;5.33,3.85,;5.33,5.39,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-.77,;-8,.77,;-9.34,1.54,;-9.34,3.08,;-8,3.85,;-8,5.39,;-6.67,3.08,;-6.67,1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-3.08,;1.33,-1.54,)|
Show InChI InChI=1/C34H42ClN3O3/c1-5-22(2)41-32-20-30-25(18-31(32)40-4)19-33(39)38(34(30)24-8-10-26(35)11-9-24)29-16-14-28(15-17-29)37(3)21-23-6-12-27(36)13-7-23/h8-11,14-18,20,22-23,27,34H,5-7,12-13,19,21,36H2,1-4H3/t22-,23-,27-,34?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/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