BDBM50056796 CHEMBL435716::DEAMINOOXYTOCIN
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
InChI Key: InChIKey=GTYWGUNQAMYZPF-FAJKJHJLSA-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) | BDBM50056796 (CHEMBL435716 | DEAMINOOXYTOCIN) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]-oxytocin | J Med Chem 40: 864-76 (1997) Article DOI: 10.1021/jm9607156 BindingDB Entry DOI: 10.7270/Q28P5ZK3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (RAT) | BDBM50056796 (CHEMBL435716 | DEAMINOOXYTOCIN) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description Binding affinity of the compound against oxytocin receptor | J Med Chem 43: 1448-55 (2000) BindingDB Entry DOI: 10.7270/Q22V2FCX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (RAT) | BDBM50056796 (CHEMBL435716 | DEAMINOOXYTOCIN) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.00E+9 | n/a | n/a | n/a | n/a | n/a |
University of Patras Curated by ChEMBL | Assay Description Antagonist activity in phenoxybenzamine-treated rat by Pressor assay | Eur J Med Chem 42: 799-806 (2007) Article DOI: 10.1016/j.ejmech.2006.12.016 BindingDB Entry DOI: 10.7270/Q2P55N5J | |||||||||||
More data for this Ligand-Target Pair |