BDBM50087281 2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-1-[6-amino-12-(sec-butyl)-15-(2-carbamoylethyl)-18-carbamoylmethyl-9-(4-hydroxybenzyl)-7,10,13,16,19-pentaoxo-3,4-dithia-8,11,14,17,20-pentaazacycloicosanylcarbonyl]-5-(tert-butyl)tetrahydro-1H-2-p::CHEMBL429161
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1[C@@H](CC[C@@H]1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
InChI Key: InChIKey=BQAIZCWVMPMKDN-GEYUUAIJSA-N
Data: 1 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 (RAT) | BDBM50087281 (2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-1-[6...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.43E+3 | 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 |