BDBM50300359 (S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11-(4-(diisothiocyanatoamino)butyl)-2-(4-hydroxybenzyl)-15-(4-hydroxyphenyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecane)pyrrolidine-2-carboxamido)-3-hydroxypropanoic acid::CHEMBL584995
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN(N=C=S)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O
InChI Key: InChIKey=ZVXKAVCLDOWBAI-NWUFEJSMSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50300359 ((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting | J Med Chem 52: 7372-5 (2009) Article DOI: 10.1021/jm9007592 BindingDB Entry DOI: 10.7270/Q2K64J5B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50300359 ((S)-2-((S)-1-((2S,8S,11R,14S)-14-amino-8-benzyl-11...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting | J Med Chem 52: 7372-5 (2009) Article DOI: 10.1021/jm9007592 BindingDB Entry DOI: 10.7270/Q2K64J5B | |||||||||||
More data for this Ligand-Target Pair |