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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50229787   

TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  6.40nMAssay Description:Inhibition of human MDM2 by TR-FRET assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Canis lupus familiaris)
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Inhibition of dog MDM2 by TR-FRET assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Mus musculus)
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  20nMAssay Description:Inhibition of mouse MDM2 by TR-FRET assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  39nMMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  43nMAssay Description:Binding affinity to 6xHis-taged MDM2 (unknown origin) expressed in Escherichia coli Gold (DE3) assessed as inhibition constantMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  59nMAssay Description:Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  90nMAssay Description:Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  110nMAssay Description:Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  121nMAssay Description:Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  140nMAssay Description:Inhibition of MDM2 (unknown origin) preincubated for 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  150nMAssay Description:In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.More data for this Ligand-Target Pair
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75KBKPubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75KBKPubMed
TargetProtein Mdm4(Homo sapiens (Human))TBA
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  6.90E+4nMAssay Description:Tested for ability to inhibit human erythrocyte carbonic-anhydrase-II- (HCA II) catalyzed carbon dioxide hydrationMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKi:  7.00E+4nMAssay Description:Tested for ability to inhibit human erythrocyte carbonic-anhydrase-II- (HCA II) catalyzed carbon dioxide hydrationMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Binding affinity to human HDM2 assessed as inhibition of HDM2-p53 interactionMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 88nMAssay Description:Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Inhibition of MDM2 (unknown origin) assessed as activation of p53More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human GST-tagged MDM2 assessed as inhibition of binding to full length p53More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 89nMAssay Description:Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKd:  700nMAssay Description:Binding affinity to human wild type Mdm2 by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 1.36E+4nMAssay Description:Binding affinity to MDM2More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Inhibition of MDM2 binding to p53More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant full length HDAC1 using fluorogenic substrate 3 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R213Z9PubMed
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Inhibition of recombinant p53 protein binding to recombinant human MDM2 by surface plasmon resonance methodMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKd:  35nMAssay Description:Binding affinity to 15N-labeled MDM2 (unknown origin) by 2D 1H-15N HSQC NMR spectroscopic methodMore data for this Ligand-Target Pair
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Dalian University of Technology

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataKd:  1.50E+4nMAssay Description:Binding affinity to 15N-labeled Bcl-2 (unknown origin) by 2D 1H-15N HSQC NMR spectroscopic methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75KBKPubMed
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Binding affinity to MDM2 (unknown origin)More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of p53 protein binding to MDM2 (unknown origin)More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Inhibition of 6xHis-taged MDM2 (unknown origin) expressed in Escherichia coli Gold (DE3)More data for this Ligand-Target Pair
TargetCellular tumor antigen p53(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5GRQPubMed
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 88nMAssay Description:Inhibition of MDM2 (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:Binding affinity to HDM2 (unknown origin) by fluorescence polarization peptide displacement assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 19nMAssay Description:Antagonistic activity against M3 muscarinic receptor in guinea pig left ileum derived by plotting log(DR - 1) vs log[antagonist]More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Inhibition of HDM2 binding to p53More data for this Ligand-Target Pair
TargetCellular tumor antigen p53(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75HGJPubMed
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 61nMAssay Description:Inhibition of Mdm2 -p53 protein interaction by ELISAMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 600nMAssay Description:Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio...More data for this Ligand-Target Pair
TargetProtein Mdm4(Homo sapiens (Human))TBA
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of human MDM4 by TR-FRET assayMore data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 610nMAssay Description:Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...More data for this Ligand-Target Pair
TargetCellular tumor antigen p53(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50229787((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5GRQPubMed