BDBM50266776 CHEMBL4066553

SMILES: CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O

InChI Key: InChIKey=PAYUNELULSPXRL-UHFFFAOYSA-N

Data: 1 IC50

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 = 50266776   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50266776 (CHEMBL4066553) Show SMILES CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O Show InChI InChI=1S/C15H14F3N3O5/c1-14(6-7-20-8-12(21(22)23)19-13(20)26-14)9-24-10-2-4-11(5-3-10)25-15(16,17)18/h2-5,8H,6-7,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50266776 (CHEMBL4066553) Show SMILES CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O Show InChI InChI=1S/C15H14F3N3O5/c1-14(6-7-20-8-12(21(22)23)19-13(20)26-14)9-24-10-2-4-11(5-3-10)25-15(16,17)18/h2-5,8H,6-7,9H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells by patch clamp method				J Med Chem 60: 4212-4233 (2017) Article DOI: 10.1021/acs.jmedchem.7b00034 BindingDB Entry DOI: 10.7270/Q20867T9
					More data for this Ligand-Target Pair