BDBM50305521 5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine::CHEMBL590099

SMILES: COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1ccccc1Cl

InChI Key: InChIKey=BKPNHETWBVUDLZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50305521   

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))	BDBM50305521 (5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-methyl-4...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1ccccc1Cl Show InChI InChI=1S/C18H18ClN5O2/c1-12-21-22-18(24(12)13-7-8-17(25-2)20-9-13)23-10-14(11-23)26-16-6-4-3-5-15(16)19/h3-9,14H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55.1	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 20: 516-20 (2010) Article DOI: 10.1016/j.bmcl.2009.11.097 BindingDB Entry DOI: 10.7270/Q2MS3SWF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50305521 (5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-methyl-4...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1ccccc1Cl Show InChI InChI=1S/C18H18ClN5O2/c1-12-21-22-18(24(12)13-7-8-17(25-2)20-9-13)23-10-14(11-23)26-16-6-4-3-5-15(16)19/h3-9,14H,10-11H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+3	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 vasopressin V1a receptor by cell based beta lactamase assay				Bioorg Med Chem Lett 20: 516-20 (2010) Article DOI: 10.1016/j.bmcl.2009.11.097 BindingDB Entry DOI: 10.7270/Q2MS3SWF
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50305521 (5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-methyl-4...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1ccccc1Cl Show InChI InChI=1S/C18H18ClN5O2/c1-12-21-22-18(24(12)13-7-8-17(25-2)20-9-13)23-10-14(11-23)26-16-6-4-3-5-15(16)19/h3-9,14H,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 vasopressin V2 receptor by cell based beta lactamase assay				Bioorg Med Chem Lett 20: 516-20 (2010) Article DOI: 10.1016/j.bmcl.2009.11.097 BindingDB Entry DOI: 10.7270/Q2MS3SWF
					More data for this Ligand-Target Pair