BDBM50332720 (S)-1-((4R,7S,10S,13S,16S,19R)-4-amino-16-(2-amino-2-oxoethyl)-13-(3-amino-3-oxopropyl)-10-sec-butyl-7-(4-hydroxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-2-selena-6,9,12,15,18-pentaazacycloicosane-19-carbonyl)-N-((S)-1-(2-amino-2-oxoethylamino)-3-methylbutyl)pyrrolidine-2-carboxamide::CHEMBL1630522
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C[Se]SC[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)NCC(N)=O
InChI Key: InChIKey=FEWOPTXNHAORKB-PJCZHVSHSA-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 (Homo sapiens (Human)) | BDBM50332720 ((S)-1-((4R,7S,10S,13S,16S,19R)-4-amino-16-(2-amino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells | J Med Chem 53: 8585-96 (2010) Article DOI: 10.1021/jm100989w BindingDB Entry DOI: 10.7270/Q2CC10X9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50332720 ((S)-1-((4R,7S,10S,13S,16S,19R)-4-amino-16-(2-amino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Activity at oxytocin receptor expressed in COS1 cells assessed as IP-one generation by HTRF assay | J Med Chem 53: 8585-96 (2010) Article DOI: 10.1021/jm100989w BindingDB Entry DOI: 10.7270/Q2CC10X9 | |||||||||||
More data for this Ligand-Target Pair |