BDBM50014094 CHEMBL3260849

SMILES: CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O

InChI Key: InChIKey=PESUUIPTWNTJKA-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50014094   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50014094 (CHEMBL3260849) Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H29Cl2N3O5/c1-30(2,3)34-28(37)27(25-23-13-10-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-8-20(31)9-5-19/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53				Bioorg Med Chem Lett 24: 2546-54 (2014) Article DOI: 10.1016/j.bmcl.2014.03.095 BindingDB Entry DOI: 10.7270/Q2FX7C05
					More data for this Ligand-Target Pair				3D Structure (crystal)
MDM2-MDMX (Homo sapiens (Human))	BDBM50014094 (CHEMBL3260849) Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H29Cl2N3O5/c1-30(2,3)34-28(37)27(25-23-13-10-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-8-20(31)9-5-19/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111588
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50014094 (CHEMBL3260849) Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C30H29Cl2N3O5/c1-30(2,3)34-28(37)27(25-23-13-10-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-8-20(31)9-5-19/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	600	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 fluorescent P4 peptide binding to human MDM2 (18 to 111 or 1 to 125 residues) expressed in Escherichia coli BL21(DE3) Rosetta measured ...				Eur J Med Chem 126: 384-407 (2017) BindingDB Entry DOI: 10.7270/Q2JQ1381
					More data for this Ligand-Target Pair				3D Structure (crystal)