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BDBM215165 US9296736, 116::US9593129, Example 116

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

InChI Key: InChIKey=MFOVQWVJMITBOY-INUWAVCENA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 215165   
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


(Homo sapiens (Human))
BDBM215165
PNG
(US9296736, 116 | US9593129, Example 116)
Show SMILES C[C@@]1(CC(O)=O)C[C@@H](C(N(C(C2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1/C27H29Cl2NO3/c1-27(15-23(31)32)14-22(19-3-2-4-21(29)13-19)25(18-9-11-20(28)12-10-18)30(26(27)33)24(16-5-6-16)17-7-8-17/h2-4,9-13,16-17,22,24-25H,5-8,14-15H2,1H3,(H,31,32)/t22-,25?,27+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 390n/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)


Article DOI: 10.1021/jm020319p
BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215165
PNG
(US9296736, 116 | US9593129, Example 116)
Show SMILES C[C@@]1(CC(O)=O)C[C@@H](C(N(C(C2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1/C27H29Cl2NO3/c1-27(15-23(31)32)14-22(19-3-2-4-21(29)13-19)25(18-9-11-20(28)12-10-18)30(26(27)33)24(16-5-6-16)17-7-8-17/h2-4,9-13,16-17,22,24-25H,5-8,14-15H2,1H3,(H,31,32)/t22-,25?,27+/s2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 390n/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