BDBM50305508 2-methoxy-5-(3-methyl-5-(4-(o-tolyloxy)piperidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine::CHEMBL592493

SMILES: COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1ccccc1C

InChI Key: InChIKey=FEZPTHLPTMCLCG-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 = 50305508   

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))	BDBM50305508 (2-methoxy-5-(3-methyl-5-(4-(o-tolyloxy)piperidin-1...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1ccccc1C Show InChI InChI=1S/C21H25N5O2/c1-15-6-4-5-7-19(15)28-18-10-12-25(13-11-18)21-24-23-16(2)26(21)17-8-9-20(27-3)22-14-17/h4-9,14,18H,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	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))	BDBM50305508 (2-methoxy-5-(3-methyl-5-(4-(o-tolyloxy)piperidin-1...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1ccccc1C Show InChI InChI=1S/C21H25N5O2/c1-15-6-4-5-7-19(15)28-18-10-12-25(13-11-18)21-24-23-16(2)26(21)17-8-9-20(27-3)22-14-17/h4-9,14,18H,10-13H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.6	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 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))	BDBM50305508 (2-methoxy-5-(3-methyl-5-(4-(o-tolyloxy)piperidin-1...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1ccccc1C Show InChI InChI=1S/C21H25N5O2/c1-15-6-4-5-7-19(15)28-18-10-12-25(13-11-18)21-24-23-16(2)26(21)17-8-9-20(27-3)22-14-17/h4-9,14,18H,10-13H2,1-3H3	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