BDBM50407348 CHEMBL1790312
SMILES: CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=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=DWTAMXHTYCZNJY-WAMYDPQPSA-N
Data: 3 Kd
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) | BDBM50407348 (CHEMBL1790312) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 9.60 | 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 | |||||||||||||
Oxytocin receptor (RAT) | BDBM50407348 (CHEMBL1790312) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 22.9 | 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 | |||||||||||||
AVPR1A (RAT) | BDBM50407348 (CHEMBL1790312) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 3.72E+3 | 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 |