BDBM50261746 3-chloro-5-(6-chloro-2-fluoro-3-((6-methyl-5-oxo-5,6-dihydro-4H-1,3,4-oxadiazin-2-yl)methyl)phenoxy)benzonitrile::CHEMBL467187

SMILES: CC1OC(Cc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2F)=NNC1=O

InChI Key: InChIKey=YLBKDRAXARKXCP-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 1 hit for monomerid = 50261746   

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))	BDBM50261746 (3-chloro-5-(6-chloro-2-fluoro-3-((6-methyl-5-oxo-5...) Show SMILES CC1OC(Cc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2F)=NNC1=O |c:24| Show InChI InChI=1S/C18H12Cl2FN3O3/c1-9-18(25)24-23-15(26-9)6-11-2-3-14(20)17(16(11)21)27-13-5-10(8-22)4-12(19)7-13/h2-5,7,9H,6H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4348-51 (2008) Article DOI: 10.1016/j.bmcl.2008.06.080 BindingDB Entry DOI: 10.7270/Q2ZK5GG4
					More data for this Ligand-Target Pair