BindingDB PrimarySearch

BDBM31197 CHEMBL211045::Nutlin-3::med.21724, Compound 186

SMILES: COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1

InChI Key: InChIKey=BDUHCSBCVGXTJM-UHFFFAOYSA-N

Data: 3 KI 4 IC50 1 Kd 1 EC50

PDB links: 8 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 31197
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31197 (CHEMBL211045 \| Nutlin-3 \| med.21724, Compound 186) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur...				Eur J Med Chem 126: 384-407 (2017) BindingDB Entry DOI: 10.7270/Q2JQ1381
Jagiellonian University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31197 (CHEMBL211045 \| Nutlin-3 \| med.21724, Compound 186) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	36	-10.1	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3759-62 (2006) Article DOI: 10.1021/jm060023+ BindingDB Entry DOI: 10.7270/Q20P0XCM
University of Michigan					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31197 (CHEMBL211045 \| Nutlin-3 \| med.21724, Compound 186) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	36	-10.1	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
University of Michigan					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31197 (CHEMBL211045 \| Nutlin-3 \| med.21724, Compound 186) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...				J Med Chem 59: 4526-38 (2016) BindingDB Entry DOI: 10.7270/Q2NV9M6P
University of Pisa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31197 (CHEMBL211045 \| Nutlin-3 \| med.21724, Compound 186) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged MDM2 binding to p53 by ELISA				Bioorg Med Chem Lett 22: 6338-42 (2012) Article DOI: 10.1016/j.bmcl.2012.08.086 BindingDB Entry DOI: 10.7270/Q2SX6F9R
Daiichi Sankyo Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MDM2-MDMX (Homo sapiens (Human))	BDBM31197 (CHEMBL211045 \| Nutlin-3 \| med.21724, Compound 186) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) by fluorescence polarization assay				Eur J Med Chem 176: 92-104 (2019) Article DOI: 10.1016/j.ejmech.2019.05.018
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3C-like proteinase (MERS-CoV)	BDBM31197 (CHEMBL211045 \| Nutlin-3 \| med.21724, Compound 186) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM31197 (CHEMBL211045 \| Nutlin-3 \| med.21724, Compound 186) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...				J Med Chem 63: 975-986 (2020) Article DOI: 10.1021/acs.jmedchem.9b00993
University of South Florida Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
MDM2-MDMX (Homo sapiens (Human))	BDBM31197 (CHEMBL211045 \| Nutlin-3 \| med.21724, Compound 186) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay				J Med Chem 63: 975-986 (2020) Article DOI: 10.1021/acs.jmedchem.9b00993
University of South Florida Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)