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BDBM215247 US9296736, 207

SMILES: CC[C@@H](CCS(=O)(=O)CC1CC1)N1C([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1

InChI Key: InChIKey=QOOHSEXSGCVVLW-ZSAYHBKHNA-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 = 215247   
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
MDM2 and p53


(Homo sapiens (Human))
BDBM215247
PNG
(US9296736, 207)
Show SMILES CC[C@@H](CCS(=O)(=O)CC1CC1)N1C([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C29H35Cl2NO5S/c1-3-24(13-14-38(36,37)18-19-7-8-19)32-27(20-9-11-22(30)12-10-20)25(21-5-4-6-23(31)15-21)16-29(2,28(32)35)17-26(33)34/h4-6,9-12,15,19,24-25,27H,3,7-8,13-14,16-18H2,1-2H3,(H,33,34)/t24-,25+,27?,29+/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/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
MDM2 and p53


(Homo sapiens (Human))
BDBM215247
PNG
(US9296736, 207)
Show SMILES CC[C@@H](CCS(=O)(=O)CC1CC1)N1C([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C29H35Cl2NO5S/c1-3-24(13-14-38(36,37)18-19-7-8-19)32-27(20-9-11-22(30)12-10-20)25(21-5-4-6-23(31)15-21)16-29(2,28(32)35)17-26(33)34/h4-6,9-12,15,19,24-25,27H,3,7-8,13-14,16-18H2,1-2H3,(H,33,34)/t24-,25+,27?,29+/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/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