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BDBM50397778 CHEMBL2177813

SMILES: OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1

InChI Key: InChIKey=OMAPWASVHLHIRY-NQSCKRDGSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50397778   
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
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397778
PNG
(CHEMBL2177813)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.44E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


J Med Chem 55: 4936-54 (2012)


Article DOI: 10.1021/jm300354j
BindingDB Entry DOI: 10.7270/Q2S75HGJ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50397778
PNG
(CHEMBL2177813)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
PDB
MMDB

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MMDB
PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50397778
PNG
(CHEMBL2177813)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 1.81E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of MDM2 in human SJSA1 cells assessed as upregulation of p21 transcript level after 7 hrs by qRT-PCR analysis in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50397778
PNG
(CHEMBL2177813)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
PDB
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PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50397778
PNG
(CHEMBL2177813)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)