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SMILES: C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)CC(F)(F)F)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1

InChI Key: InChIKey=BDYAVVVJDLYQJB-HLMLHLEXSA-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 = 215355   
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
E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM215355
PNG
(US9296736, 323 | US9593129, Example 323)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)CC(F)(F)F)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C27H28Cl2F3NO5S/c1-26(13-23(34)35)12-21(18-3-2-4-20(29)11-18)24(17-7-9-19(28)10-8-17)33(25(26)36)22(16-5-6-16)14-39(37,38)15-27(30,31)32/h2-4,7-11,16,21-22,24H,5-6,12-15H2,1H3,(H,34,35)/t21-,22-,24-,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188]


(Homo sapiens (Human))
BDBM215355
PNG
(US9296736, 323 | US9593129, Example 323)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)CC(F)(F)F)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C27H28Cl2F3NO5S/c1-26(13-23(34)35)12-21(18-3-2-4-20(29)11-18)24(17-7-9-19(28)10-8-17)33(25(26)36)22(16-5-6-16)14-39(37,38)15-27(30,31)32/h2-4,7-11,16,21-22,24H,5-6,12-15H2,1H3,(H,34,35)/t21-,22-,24-,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair