BDBM50295776 2-(3-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine::CHEMBL549494

SMILES: COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2cccc(F)c2C)cn1

InChI Key: InChIKey=CFZOGYJFQBTDKQ-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 = 50295776   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50295776 (2-(3-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridi...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2cccc(F)c2C)cn1 Show InChI InChI=1S/C20H17FN6O2/c1-12-15(21)5-4-6-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)14-7-8-18(28-3)23-9-14/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned oxytocin receptor by cell based beta-lactamase assay				Bioorg Med Chem Lett 19: 2634-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.160 BindingDB Entry DOI: 10.7270/Q2736QXW
					More data for this Ligand-Target Pair