BDBM50499315 CHEMBL3735566

SMILES: CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1

InChI Key: InChIKey=ZRXQTBRFBXPOJD-UHFFFAOYSA-N

Data: 2 KI

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 = 50499315   

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))	BDBM50499315 (CHEMBL3735566) Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)| Show InChI InChI=1S/C32H23Cl2FN2O2/c1-2-39-32(38)30-29(24-16-13-22(34)17-26(24)36-30)31-28(20-9-14-23(35)15-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5661-6 (2015) Article DOI: 10.1016/j.bmcl.2015.11.019 BindingDB Entry DOI: 10.7270/Q2WM1HF9
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50499315 (CHEMBL3735566) Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)| Show InChI InChI=1S/C32H23Cl2FN2O2/c1-2-39-32(38)30-29(24-16-13-22(34)17-26(24)36-30)31-28(20-9-14-23(35)15-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5661-6 (2015) Article DOI: 10.1016/j.bmcl.2015.11.019 BindingDB Entry DOI: 10.7270/Q2WM1HF9
					More data for this Ligand-Target Pair