BDBM50151753 1N-[6-carbamoyl-9-(4-nitrobenzyl)-8,11,14-trioxo-(1R,6S,9S)-3,4-dithia-7,10,13-triazacyclotetradecanyl]-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-(2S)-propanamide::CHEMBL184009
SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CNC1=O)C(N)=O
InChI Key: InChIKey=NLNQRXBCJMAZFC-GPJHCHHRSA-N
Data: 3 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 (GUINEA PIG) | BDBM50151753 (1N-[6-carbamoyl-9-(4-nitrobenzyl)-8,11,14-trioxo-(...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibitory concentration against Mu opioid receptor of guinea pig ileum | Bioorg Med Chem Lett 14: 4731-3 (2004) Article DOI: 10.1016/j.bmcl.2004.06.077 BindingDB Entry DOI: 10.7270/Q2610ZR8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50151753 (1N-[6-carbamoyl-9-(4-nitrobenzyl)-8,11,14-trioxo-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibitory concentration against Delta opioid receptor of mouse vas deferens | Bioorg Med Chem Lett 14: 4731-3 (2004) Article DOI: 10.1016/j.bmcl.2004.06.077 BindingDB Entry DOI: 10.7270/Q2610ZR8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50151753 (1N-[6-carbamoyl-9-(4-nitrobenzyl)-8,11,14-trioxo-(...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Clinical Research Institute of Montreal Curated by ChEMBL | Assay Description Inhibitory concentration against Kappa opioid receptor of guinea pig ileum | Bioorg Med Chem Lett 14: 4731-3 (2004) Article DOI: 10.1016/j.bmcl.2004.06.077 BindingDB Entry DOI: 10.7270/Q2610ZR8 | |||||||||||
More data for this Ligand-Target Pair |