BDBM50176877 CHEMBL3813727

SMILES: COc1cc(C(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)c(O)c(OC)c1OC

InChI Key: InChIKey=LVQOIADTCOOBCZ-RMKNXTFCSA-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 = 50176877   

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))	BDBM50176877 (CHEMBL3813727) Show SMILES COc1cc(C(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)c(O)c(OC)c1OC Show InChI InChI=1S/C18H17NO7/c1-24-15-10-13(16(21)18(26-3)17(15)25-2)14(20)9-6-11-4-7-12(8-5-11)19(22)23/h4-10,21H,1-3H3/b9-6+	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