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BDBM162068 US9051279, 78

SMILES: COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NC(=O)c1cocn1

InChI Key: InChIKey=OIRZEYYFCUVARK-ZJSFXZDWNA-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 = 162068   
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))
BDBM162068
PNG
(US9051279, 78)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NC(=O)c1cocn1 |r,wU:36.43,wD:9.9,33.36,(7.84,4.23,;7.84,2.69,;6.51,1.92,;5.18,2.69,;3.84,1.92,;2.51,2.69,;1.18,1.92,;-.16,2.69,;1.18,.38,;2.51,-.38,;2.51,-1.92,;1.18,-2.69,;1.18,-4.23,;2.51,-5.01,;2.51,-6.54,;3.84,-4.23,;3.84,-2.69,;3.84,.38,;5.18,-.38,;6.51,.38,;7.84,-.38,;9.18,.38,;10.51,-.38,;9.18,1.92,;-.16,-.38,;-1.49,.38,;-2.82,-.38,;-2.82,-1.92,;-1.49,-2.69,;-.16,-1.92,;-4.16,-2.69,;-4.16,-4.23,;-5.49,-1.92,;-5.49,-.38,;-4.16,.38,;-4.16,1.92,;-5.49,2.69,;-6.83,1.92,;-6.83,.38,;-5.49,4.23,;-6.81,5.01,;-6.8,6.54,;-8.14,4.23,;-8.14,2.69,;-9.61,2.22,;-10.51,3.47,;-9.61,4.71,)|
Show InChI InChI=1/C37H41ClN4O5/c1-23(2)47-34-19-31-26(17-33(34)45-4)18-35(43)42(36(31)25-7-9-27(38)10-8-25)30-15-13-29(14-16-30)41(3)20-24-5-11-28(12-6-24)40-37(44)32-21-46-22-39-32/h7-10,13-17,19,21-24,28,36H,5-6,11-12,18,20H2,1-4H3,(H,40,44)/t24-,28-,36-/s2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.28E+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))
BDBM162068
PNG
(US9051279, 78)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NC(=O)c1cocn1 |r,wU:36.43,wD:9.9,33.36,(7.84,4.23,;7.84,2.69,;6.51,1.92,;5.18,2.69,;3.84,1.92,;2.51,2.69,;1.18,1.92,;-.16,2.69,;1.18,.38,;2.51,-.38,;2.51,-1.92,;1.18,-2.69,;1.18,-4.23,;2.51,-5.01,;2.51,-6.54,;3.84,-4.23,;3.84,-2.69,;3.84,.38,;5.18,-.38,;6.51,.38,;7.84,-.38,;9.18,.38,;10.51,-.38,;9.18,1.92,;-.16,-.38,;-1.49,.38,;-2.82,-.38,;-2.82,-1.92,;-1.49,-2.69,;-.16,-1.92,;-4.16,-2.69,;-4.16,-4.23,;-5.49,-1.92,;-5.49,-.38,;-4.16,.38,;-4.16,1.92,;-5.49,2.69,;-6.83,1.92,;-6.83,.38,;-5.49,4.23,;-6.81,5.01,;-6.8,6.54,;-8.14,4.23,;-8.14,2.69,;-9.61,2.22,;-10.51,3.47,;-9.61,4.71,)|
Show InChI InChI=1/C37H41ClN4O5/c1-23(2)47-34-19-31-26(17-33(34)45-4)18-35(43)42(36(31)25-7-9-27(38)10-8-25)30-15-13-29(14-16-30)41(3)20-24-5-11-28(12-6-24)40-37(44)32-21-46-22-39-32/h7-10,13-17,19,21-24,28,36H,5-6,11-12,18,20H2,1-4H3,(H,40,44)/t24-,28-,36-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.90n/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