BDBM50295780 2-(2,4-dichlorophenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine::CHEMBL563613

SMILES: COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccc(Cl)cc2Cl)cn1

InChI Key: InChIKey=ZXTYVJMQUUGAGW-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 = 50295780   

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))	BDBM50295780 (2-(2,4-dichlorophenoxy)-5-(4-(6-methoxypyridin-3-y...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccc(Cl)cc2Cl)cn1 Show InChI InChI=1S/C19H14Cl2N6O2/c1-11-25-26-19(27(11)13-4-6-17(28-2)23-8-13)15-9-24-18(10-22-15)29-16-5-3-12(20)7-14(16)21/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.5	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