BDBM50420260 CHEMBL2089321

SMILES: COC(=O)C(N1C(c2ccc(Cl)cc2)C(SC)=Nc2cc(Cl)ccc2C1=O)c1ccc(Cl)cc1

InChI Key: InChIKey=QECOUAYDVXYVCR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50420260   

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))	BDBM50420260 (CHEMBL2089321) Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(SC)=Nc2cc(Cl)ccc2C1=O)c1ccc(Cl)cc1 |c:17| Show InChI InChI=1S/C25H19Cl3N2O3S/c1-33-25(32)22(15-5-9-17(27)10-6-15)30-21(14-3-7-16(26)8-4-14)23(34-2)29-20-13-18(28)11-12-19(20)24(30)31/h3-13,21-22H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay				Eur J Med Chem 56: 10-16 (2012) Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR
					More data for this Ligand-Target Pair