BDBM50370109 CHEMBL1790723
SMILES: [#6]-[#6]-[#6@@H](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(-[#6]-2=[#6]-3-[#6]=[#6]-[#6](=[#6]-[#6]-3-[#8]-[#6]-3=[#6]\[#6](-[#6]=[#6]-[#6]-2-3)=[#7+](\[#6])-[#6])-[#7](-[#6])-[#6])c(c1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#7])-c1ccc(-[#8])cc1
InChI Key: InChIKey=XSTBAVMTSHGRBE-CMUMJJDBSA-O
Data: 2 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)) | BDBM50370109 (CHEMBL1790723) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Binding affinity for human oxytocin receptor | J Med Chem 45: 2579-88 (2002) BindingDB Entry DOI: 10.7270/Q2W37X10 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50370109 (CHEMBL1790723) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Binding affinity for human Vasopressin V1a receptor | J Med Chem 45: 2579-88 (2002) BindingDB Entry DOI: 10.7270/Q2W37X10 | |||||||||||
More data for this Ligand-Target Pair |