BDBM50009193 (S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid::(S)-5-((S)-1-((S)-1-(2-amino-2-oxoethylamino)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-4-((S)-2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)propanamido)-3-phenylpropanamido)-5-oxopentanoic acid::4-(2-{2-[(2-Amino-6-hydroxy-1,2,3,4-tetrahydro-naphthalene-2-carbonyl)-amino]-propionylamino}-3-phenyl-propionylamino)-4-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-butylcarbamoyl]-2-methyl-butylcarbamoyl}-butyric acid::4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid::CHEMBL29078::Tyr-Ala-Phe-Asp-Val-Val-Gly::Tyr-D-Ala-Phe-Glu-Val-Val-Gly-NH2
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)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=NUNBRHVOPFWRRG-LJXGPVSSSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50009193 ((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50009193 ((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Inhibition of opioid receptor mu in guinea pig ileum (GPI) | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50009193 ((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50009193 ((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50009193 ((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane | J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF | |||||||||||
More data for this Ligand-Target Pair |