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BDBM161883 US9051279, 53

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

InChI Key: InChIKey=FNFFGCOHCCHIDU-IHDHMKHVSA-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 = 161883   
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))
BDBM161883
PNG
(US9051279, 53)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)CC)c1ccc(Cl)cc1 |r,wU:27.29,wD:30.36,2.2,(9.34,.38,;8,-.38,;6.67,.38,;6.67,1.93,;5.33,-.38,;4,.38,;2.67,-.38,;1.33,.38,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;,2.69,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-8,-1.93,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,;-6.67,.38,;-8,4.23,;-9.34,5,;-6.67,5,;-6.67,6.54,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;,-5,;,-6.54,;1.33,-4.23,;1.33,-2.69,)|
Show InChI InChI=1S/C37H48ClN3O3/c1-7-25(3)44-35-23-33-28(21-34(35)43-6)22-36(42)41(37(33)27-11-13-29(38)14-12-27)32-19-17-31(18-20-32)40(5)24-26-9-15-30(16-10-26)39(4)8-2/h11-14,17-21,23,25-26,30,37H,7-10,15-16,22,24H2,1-6H3/t25-,26-,30-,37?/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 2.30E+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))
BDBM161883
PNG
(US9051279, 53)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)CC)c1ccc(Cl)cc1 |r,wU:27.29,wD:30.36,2.2,(9.34,.38,;8,-.38,;6.67,.38,;6.67,1.93,;5.33,-.38,;4,.38,;2.67,-.38,;1.33,.38,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;,2.69,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-8,-1.93,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,;-6.67,.38,;-8,4.23,;-9.34,5,;-6.67,5,;-6.67,6.54,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;,-5,;,-6.54,;1.33,-4.23,;1.33,-2.69,)|
Show InChI InChI=1S/C37H48ClN3O3/c1-7-25(3)44-35-23-33-28(21-34(35)43-6)22-36(42)41(37(33)27-11-13-29(38)14-12-27)32-19-17-31(18-20-32)40(5)24-26-9-15-30(16-10-26)39(4)8-2/h11-14,17-21,23,25-26,30,37H,7-10,15-16,22,24H2,1-6H3/t25-,26-,30-,37?/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 2.30n/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