BDBM50262210 2-(4-fluoro-3-methylphenyl)-5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3-yl)pyrazine::CHEMBL511265

SMILES: COCc1nnc(-c2cnc(cn2)-c2ccc(F)c(C)c2)n1-c1ccc(OC)nc1

InChI Key: InChIKey=QTPGBEHBPOZUSK-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 = 50262210   

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))	BDBM50262210 (2-(4-fluoro-3-methylphenyl)-5-(5-(methoxymethyl)-4...) Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(F)c(C)c2)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C21H19FN6O2/c1-13-8-14(4-6-16(13)22)17-10-24-18(11-23-17)21-27-26-19(12-29-2)28(21)15-5-7-20(30-3)25-9-15/h4-11H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 V1a receptor (Homo sapiens (Human))	BDBM50262210 (2-(4-fluoro-3-methylphenyl)-5-(5-(methoxymethyl)-4...) Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(F)c(C)c2)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C21H19FN6O2/c1-13-8-14(4-6-16(13)22)17-10-24-18(11-23-17)21-27-26-19(12-29-2)28(21)15-5-7-20(30-3)25-9-15/h4-11H,12H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+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 vassopressin V1a 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
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50262210 (2-(4-fluoro-3-methylphenyl)-5-(5-(methoxymethyl)-4...) Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(F)c(C)c2)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C21H19FN6O2/c1-13-8-14(4-6-16(13)22)17-10-24-18(11-23-17)21-27-26-19(12-29-2)28(21)15-5-7-20(30-3)25-9-15/h4-11H,12H2,1-3H3	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 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