BDBM50314511 CHEMBL1092458::N-ethyl-5-(3-fluoro-2-methylphenyl)-N-(6-methoxypyridin-3-yl)pyrazine-2-carboxamide

SMILES: CCN(C(=O)c1cnc(cn1)-c1cccc(F)c1C)c1ccc(OC)nc1

InChI Key: InChIKey=SYYCAJHVEXJGJI-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 = 50314511   

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))	BDBM50314511 (CHEMBL1092458 | N-ethyl-5-(3-fluoro-2-methylphenyl...) Show SMILES CCN(C(=O)c1cnc(cn1)-c1cccc(F)c1C)c1ccc(OC)nc1 Show InChI InChI=1S/C20H19FN4O2/c1-4-25(14-8-9-19(27-3)24-10-14)20(26)18-12-22-17(11-23-18)15-6-5-7-16(21)13(15)2/h5-12H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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 OT receptor by cell based beta-lactamase reporter gene assay				Bioorg Med Chem Lett 20: 2224-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.018 BindingDB Entry DOI: 10.7270/Q2X34XMS
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50314511 (CHEMBL1092458 | N-ethyl-5-(3-fluoro-2-methylphenyl...) Show SMILES CCN(C(=O)c1cnc(cn1)-c1cccc(F)c1C)c1ccc(OC)nc1 Show InChI InChI=1S/C20H19FN4O2/c1-4-25(14-8-9-19(27-3)24-10-14)20(26)18-12-22-17(11-23-18)15-6-5-7-16(21)13(15)2/h5-12H,4H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+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 reporter gene assay				Bioorg Med Chem Lett 20: 2224-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.018 BindingDB Entry DOI: 10.7270/Q2X34XMS
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50314511 (CHEMBL1092458 | N-ethyl-5-(3-fluoro-2-methylphenyl...) Show SMILES CCN(C(=O)c1cnc(cn1)-c1cccc(F)c1C)c1ccc(OC)nc1 Show InChI InChI=1S/C20H19FN4O2/c1-4-25(14-8-9-19(27-3)24-10-14)20(26)18-12-22-17(11-23-18)15-6-5-7-16(21)13(15)2/h5-12H,4H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.43E+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 vasopressin V2 receptor by cell based beta-lactamase reporter gene assay				Bioorg Med Chem Lett 20: 2224-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.018 BindingDB Entry DOI: 10.7270/Q2X34XMS
					More data for this Ligand-Target Pair