BDBM50266876 CHEMBL4093959

SMILES: OC(=O)CCC(=O)NCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=MEJMFPQUMDEAQP-UHFFFAOYSA-N

Data: 2 KI

PDB links: 2 PDB IDs match 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 2 hits for monomerid = 50266876   

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
MDM2-MDMX (Homo sapiens (Human))	BDBM50266876 (CHEMBL4093959) Show SMILES OC(=O)CCC(=O)NCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(9.15,-11.62,;9.92,-12.95,;9.15,-14.28,;11.46,-12.95,;12.23,-14.28,;13.77,-14.28,;14.54,-12.95,;14.54,-15.62,;16.08,-15.62,;16.85,-16.95,;18.39,-16.95,;19.16,-18.29,;20.7,-18.29,;21.47,-19.62,;23.01,-19.62,;23.78,-18.29,;23.01,-16.95,;25.32,-18.29,;26.23,-19.53,;27.69,-19.06,;29.02,-19.83,;30.36,-19.06,;31.69,-19.83,;30.36,-17.52,;29.02,-16.75,;27.69,-17.52,;26.23,-17.04,;25.75,-15.57,;26.65,-14.33,;25.75,-13.08,;24.28,-13.56,;24.28,-15.1,;23.04,-16,;21.63,-15.38,;20.39,-16.28,;18.98,-15.66,;18.82,-14.12,;17.41,-13.49,;20.07,-13.22,;21.47,-13.85,;28.19,-14.33,;28.96,-13,;30.5,-13,;31.27,-14.33,;32.81,-14.33,;30.5,-15.66,;28.96,-15.66,)| Show InChI InChI=1S/C35H33Cl2FN4O5/c36-24-9-5-22(6-10-24)20-42-21-40-32(23-7-12-26(38)13-8-23)34(42)31-27-14-11-25(37)19-28(27)41-33(31)35(46)47-18-4-2-1-3-17-39-29(43)15-16-30(44)45/h5-14,19,21,41H,1-4,15-18,20H2,(H,39,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT...				J Med Chem 60: 4234-4244 (2017) Article DOI: 10.1021/acs.jmedchem.7b00104 BindingDB Entry DOI: 10.7270/Q2BK1FT3
					More data for this Ligand-Target Pair				3D Structure (crystal)
p53-Binding Protein HDMX (Homo sapiens (Human))	BDBM50266876 (CHEMBL4093959) Show SMILES OC(=O)CCC(=O)NCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(9.15,-11.62,;9.92,-12.95,;9.15,-14.28,;11.46,-12.95,;12.23,-14.28,;13.77,-14.28,;14.54,-12.95,;14.54,-15.62,;16.08,-15.62,;16.85,-16.95,;18.39,-16.95,;19.16,-18.29,;20.7,-18.29,;21.47,-19.62,;23.01,-19.62,;23.78,-18.29,;23.01,-16.95,;25.32,-18.29,;26.23,-19.53,;27.69,-19.06,;29.02,-19.83,;30.36,-19.06,;31.69,-19.83,;30.36,-17.52,;29.02,-16.75,;27.69,-17.52,;26.23,-17.04,;25.75,-15.57,;26.65,-14.33,;25.75,-13.08,;24.28,-13.56,;24.28,-15.1,;23.04,-16,;21.63,-15.38,;20.39,-16.28,;18.98,-15.66,;18.82,-14.12,;17.41,-13.49,;20.07,-13.22,;21.47,-13.85,;28.19,-14.33,;28.96,-13,;30.5,-13,;31.27,-14.33,;32.81,-14.33,;30.5,-15.66,;28.96,-15.66,)| Show InChI InChI=1S/C35H33Cl2FN4O5/c36-24-9-5-22(6-10-24)20-42-21-40-32(23-7-12-26(38)13-8-23)34(42)31-27-14-11-25(37)19-28(27)41-33(31)35(46)47-18-4-2-1-3-17-39-29(43)15-16-30(44)45/h5-14,19,21,41H,1-4,15-18,20H2,(H,39,43)(H,44,45)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal MDMx (1 to 134 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT...				J Med Chem 60: 4234-4244 (2017) Article DOI: 10.1021/acs.jmedchem.7b00104 BindingDB Entry DOI: 10.7270/Q2BK1FT3
					More data for this Ligand-Target Pair