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SMILES: CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nccs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1

InChI Key: InChIKey=BRLUWZXCWJPMRO-LQAFYMSYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50008809   
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))
BDBM50008809
PNG
(CHEMBL3236656)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nccs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C31H35Cl2FN2O3S2/c1-30(2,3)41(38,39)18-26(19-8-9-19)36-28(21-10-11-24(33)25(34)15-21)23(20-6-5-7-22(32)14-20)16-31(4,29(36)37)17-27-35-12-13-40-27/h5-7,10-15,19,23,26,28H,8-9,16-18H2,1-4H3/t23-,26-,28-,31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ...


J Med Chem 57: 2963-88 (2014)


Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50008809
PNG
(CHEMBL3236656)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nccs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C31H35Cl2FN2O3S2/c1-30(2,3)41(38,39)18-26(19-8-9-19)36-28(21-10-11-24(33)25(34)15-21)23(20-6-5-7-22(32)14-20)16-31(4,29(36)37)17-27-35-12-13-40-27/h5-7,10-15,19,23,26,28H,8-9,16-18H2,1-4H3/t23-,26-,28-,31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2963-88 (2014)


Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J
More data for this
Ligand-Target Pair