BDBM50314513 5-(2,3-dimethylphenyl)-N-isopropyl-N-(6-methoxypyridin-3-yl)pyrazine-2-carboxamide::CHEMBL1092459
SMILES: COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1cccc(C)c1C
InChI Key: InChIKey=OEBYQAZSQJUSMJ-UHFFFAOYSA-N
Data: 3 KI
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)) | BDBM50314513 (5-(2,3-dimethylphenyl)-N-isopropyl-N-(6-methoxypyr...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14 | 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 V2 receptor (Homo sapiens (Human)) | BDBM50314513 (5-(2,3-dimethylphenyl)-N-isopropyl-N-(6-methoxypyr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.30E+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 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 | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50314513 (5-(2,3-dimethylphenyl)-N-isopropyl-N-(6-methoxypyr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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 |