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SMILES: Cc1nc(C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O

InChI Key: InChIKey=IJGOXKRIKNRLNK-WLDYPGBFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50008772   
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))
BDBM50008772
PNG
(CHEMBL3236645)
Show SMILES Cc1nc(C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O |r|
Show InChI InChI=1S/C35H40Cl2N2O5S/c1-21-28(32(40)41)16-15-27(38-21)18-35(5)19-29(24-7-6-8-26(37)17-24)31(23-11-13-25(36)14-12-23)39(33(35)42)30(22-9-10-22)20-45(43,44)34(2,3)4/h6-8,11-17,22,29-31H,9-10,18-20H2,1-5H3,(H,40,41)/t29-,30-,31-,35+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 5.30n/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))
BDBM50008772
PNG
(CHEMBL3236645)
Show SMILES Cc1nc(C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O |r|
Show InChI InChI=1S/C35H40Cl2N2O5S/c1-21-28(32(40)41)16-15-27(38-21)18-35(5)19-29(24-7-6-8-26(37)17-24)31(23-11-13-25(36)14-12-23)39(33(35)42)30(22-9-10-22)20-45(43,44)34(2,3)4/h6-8,11-17,22,29-31H,9-10,18-20H2,1-5H3,(H,40,41)/t29-,30-,31-,35+/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 0.400n/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