BDBM50176867 CHEMBL3815010

SMILES: COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=QTQJBTUSIAFMSD-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 = 50176867   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50176867 (CHEMBL3815010) Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C18H15NO7/c1-23-15-9-14-16(18(25-3)17(15)24-2)12(20)8-13(26-14)10-6-4-5-7-11(10)19(21)22/h4-9H,1-3H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...				J Med Chem 59: 4152-70 (2016) BindingDB Entry DOI: 10.7270/Q2TX3H9R
					More data for this Ligand-Target Pair