null
SMILES: CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O
InChI Key: InChIKey=XYAQUABLEDHOGT-ICMSTALXSA-N
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 (RAT) | BDBM50407334 (CHEMBL1790313) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
Medical College of Ohio Curated by ChEMBL | Assay Description In vitro anti-oxytocic activity with out Mg2+. | J Med Chem 38: 1762-9 (1995) BindingDB Entry DOI: 10.7270/Q24M95QZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (RAT) | BDBM50407334 (CHEMBL1790313) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a |
Medical College of Ohio Curated by ChEMBL | Assay Description Anti-vasopressor activity at V1a receptor | J Med Chem 38: 1762-9 (1995) BindingDB Entry DOI: 10.7270/Q24M95QZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (RAT) | BDBM50407334 (CHEMBL1790313) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a |
Medical College of Ohio Curated by ChEMBL | Assay Description In vitro anti-oxytocic activity with 0.5 mM Mg2+. | J Med Chem 38: 1762-9 (1995) BindingDB Entry DOI: 10.7270/Q24M95QZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Rattus norvegicus (Rat)) | BDBM50407334 (CHEMBL1790313) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a |
Medical College of Ohio Curated by ChEMBL | Assay Description Antidiuretic activity at V2 receptor | J Med Chem 38: 1762-9 (1995) BindingDB Entry DOI: 10.7270/Q24M95QZ | |||||||||||
More data for this Ligand-Target Pair |