BDBM50059367 (S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-2-methyl-propionylamino]-N-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propyl]-3-methyl-butyramide::CHEMBL420606
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
InChI Key: InChIKey=HNNLSZAQRSQVDA-OBWLXNIXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50059367 ((S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1 | J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50059367 ((S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1 | J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50059367 ((S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-p...) | 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 | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Functional biological activity for Opioid receptor delta 1 was determined in vitro, on mouse vas deferens (MVD). | J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50059367 ((S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-p...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Environmental Health Sciences Curated by ChEMBL | Assay Description Functional biological activity for mu opioid receptor was determined in vitro , on guinea pig ileum (GPI). | J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2 | |||||||||||
More data for this Ligand-Target Pair |