BDBM50262272 2-(4-(ethylthio)-2-methylphenyl)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine::CHEMBL467546

SMILES: CCSc1ccc(c(C)c1)-c1cnc(cn1)-c1nnc(C)n1-c1ccc(OC)nc1

InChI Key: InChIKey=SJMGUVXXQUIYLU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50262272   

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))	BDBM50262272 (2-(4-(ethylthio)-2-methylphenyl)-5-(4-(6-methoxypy...) Show SMILES CCSc1ccc(c(C)c1)-c1cnc(cn1)-c1nnc(C)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C22H22N6OS/c1-5-30-17-7-8-18(14(2)10-17)19-12-24-20(13-23-19)22-27-26-15(3)28(22)16-6-9-21(29-4)25-11-16/h6-13H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	232	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 reporter assay				Bioorg Med Chem Lett 18: 4278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.06.098 BindingDB Entry DOI: 10.7270/Q28W3D4Z
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50262272 (2-(4-(ethylthio)-2-methylphenyl)-5-(4-(6-methoxypy...) Show SMILES CCSc1ccc(c(C)c1)-c1cnc(cn1)-c1nnc(C)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C22H22N6OS/c1-5-30-17-7-8-18(14(2)10-17)19-12-24-20(13-23-19)22-27-26-15(3)28(22)16-6-9-21(29-4)25-11-16/h6-13H,5H2,1-4H3	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 vassopressin V2 receptor (unknown origin)				Bioorg Med Chem Lett 18: 4278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.06.098 BindingDB Entry DOI: 10.7270/Q28W3D4Z
					More data for this Ligand-Target Pair