BindingDB

null

SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1

InChI Key InChIKey=BDUHCSBCVGXTJM-WUFINQPMSA-N

PDB links: 10 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50229787

Cellular tumor antigen p53(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL

BDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI

IC50: 1.00E+3nMAssay Description:Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrsMore data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2ZK5GRQPubMed

Cellular tumor antigen p53(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL

BDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI

IC50: 7.10E+3nMAssay 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 serumMore data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2S75HGJPubMed

Cellular tumor antigen p53(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL

BDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI

IC50: 1.00E+3nMAssay Description:Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...More data for this Ligand-Target Pair

PDB MMDB KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2ZK5GRQPubMed

Targets 6 ▿
- E3 ubiquitin-protein ligase Mdm2 34
- Cellular tumor antigen p53 3
- Protein Mdm4 2
- Apoptosis regulator Bcl-2 2
- Induced myeloid leukemia cell differentiation protein Mcl-1 1
- Histone deacetylase 1 1
Publications 27 ▿
- J Med Chem 59: 3152-62 (2016) 5
- J Med Chem 58: 6348-58 (2015) 4
- J Med Chem 52: 7044-53 (2009) 2
- J Med Chem 56: 4053-70 (2013) 2
- J Med Chem 61: 7245-7260 (2018) 2
- ACS Med Chem Lett 11: 1047-1053 (2020) 2
- J Med Chem 54: 1233-43 (2011) 1
- J Med Chem 51: 5035-42 (2008) 1
- Bioorg Med Chem Lett 23: 2480-5 (2013) 1
- Bioorg Med Chem 20: 1893-901 (2012) 1
- J Med Chem 55: 4936-54 (2012) 1
- Nature 450: 1001-1009 (2007) 1
- Eur J Med Chem 81: 277-88 (2014) 1
- Bioorg Med Chem Lett 22: 6338-42 (2012) 1
- Bioorg Med Chem 21: 2418-25 (2013) 1
- Bioorg Med Chem Lett 28: 3404-3408 (2018) 1
- Bioorg Med Chem Lett 21: 1472-5 (2011) 1
- Bioorg Med Chem Lett 25: 4878-80 (2015) 1
- Eur J Med Chem 176: 92-104 (2019) 1
- Eur J Med Chem 158: 7-24 (2018) 1
- J Med Chem 63: 7957-7985 (2020) 1
- ACS Med Chem Lett 4: 466-9 (2013) 1
- Eur J Med Chem 56: 10-16 (2012) 1
- Bioorg Med Chem Lett 18: 5904-8 (2008) 1
- Bioorg Med Chem Lett 24: 2648-50 (2014) 1
- J Med Chem 58: 1038-52 (2015) 1
- Bioorg Med Chem Lett 24: 1983-6 (2014) 1
Institutions 24 ▿
- [Novartis Institutes for BioMedical Research, Dalian University of Technology, Amgen Inc.] 5
- [Novartis Institutes for BioMedical Research, Dalian University of Technology, Amgen Inc.] 5
- [Novartis Institutes for BioMedical Research, Dalian University of Technology, Amgen Inc.] 5
- [University of Naples "Federico II", East China University of Science and Technology] 2
- [University of Naples "Federico II", East China University of Science and Technology] 2
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
- [University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine, Merck Research Laboratories, University of East Anglia, Roche Research Center, JSS Academy of Higher Education and Research, Sichuan University, Korea University College of Pharmacy Sejong-ro, State University of New York, Second Military Medical University, TBA, Yale University, Genentech Inc., Daiichi Sankyo Co., Ltd, The University of Texas Health Science Center at Houston, Newcastle University, University of California at San Francisco, Institute for Biochemistry, Sanofi, Chinese Academy of Medical Science and Peking Union Medical College] 1
Affinity: 6.4 to 1.0E+5 nM▿
- Ki 15
- IC50 25
- Kd 3
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1