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SMILES: CO[C@]1(N([C@@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@@](C)(O)C1CCOCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=AVDHVIXZENQIRS-HOSFBAFGSA-N

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 = 427147   
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
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM427147
PNG
((3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)...)
Show SMILES CO[C@]1(N([C@@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@@](C)(O)C1CCOCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H30Cl2FNO6/c1-30(39,19-11-13-41-14-12-19)21-15-24-28(25(34)16-21)31(40-2,20-5-9-23(33)10-6-20)35(29(24)38)26(17-27(36)37)18-3-7-22(32)8-4-18/h3-10,15-16,19,26,39H,11-14,17H2,1-2H3,(H,36,37)/t26-,30-,31+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.790n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10981898 (2021)

More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM427147
PNG
((3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)...)
Show SMILES CO[C@]1(N([C@@H](CC(O)=O)c2ccc(Cl)cc2)C(=O)c2cc(cc(F)c12)[C@@](C)(O)C1CCOCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H30Cl2FNO6/c1-30(39,19-11-13-41-14-12-19)21-15-24-28(25(34)16-21)31(40-2,20-5-9-23(33)10-6-20)35(29(24)38)26(17-27(36)37)18-3-7-22(32)8-4-18/h3-10,15-16,19,26,39H,11-14,17H2,1-2H3,(H,36,37)/t26-,30-,31+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.790n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED; CANCER RESEARCH TECHNOLOGY LIMITED

US Patent


Assay Description
The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 μl per well of 1 μg ml−1 biotinylated IP...


US Patent US10544132 (2020)


BindingDB Entry DOI: 10.7270/Q27H1N06
More data for this
Ligand-Target Pair