BindingDB PrimarySearch

BDBM50149384 (S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL331325::Dmt-Pro-Phe-Phe-NH2

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=PJAMNQXPYIKTPE-KRCBVYEFSA-N

Data: 9 KI 2 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50149384
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand				J Med Chem 47: 3591-9 (2004) Article DOI: 10.1021/jm030649p BindingDB Entry DOI: 10.7270/Q2W095DJ
Kobe Gakuin University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Szeged Curated by ChEMBL					Assay Description Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor				J Med Chem 48: 3239-50 (2005) Article DOI: 10.1021/jm049157i BindingDB Entry DOI: 10.7270/Q28P601Q
University of Szeged Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane				J Med Chem 50: 2753-66 (2007) Article DOI: 10.1021/jm061238m BindingDB Entry DOI: 10.7270/Q25B0264
Kobe Gakuin University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes incubated for 2 hrs by liquid scintillation counting method				Eur J Med Chem 179: 527-536 (2019) Article DOI: 10.1016/j.ejmech.2019.06.077
Medical University of Lodz Curated by ChEMBL					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand				J Med Chem 47: 3591-9 (2004) Article DOI: 10.1021/jm030649p BindingDB Entry DOI: 10.7270/Q2W095DJ
Kobe Gakuin University Curated by ChEMBL					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane				J Med Chem 50: 2753-66 (2007) Article DOI: 10.1021/jm061238m BindingDB Entry DOI: 10.7270/Q25B0264
Kobe Gakuin University Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	283	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]deltrophin-2 from human recombinant DOR expressed in CHO cell membranes incubated for 2 hrs by liquid scintillation counting meth...				Eur J Med Chem 179: 527-536 (2019) Article DOI: 10.1016/j.ejmech.2019.06.077
Medical University of Lodz Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	489	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in Hartley guinea pig cerebellum P2 synaptosome membrane				J Med Chem 50: 2753-66 (2007) Article DOI: 10.1021/jm061238m BindingDB Entry DOI: 10.7270/Q25B0264
Kobe Gakuin University Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cell membranes incubated for 2 hrs by liquid scintillation counting method				Eur J Med Chem 179: 527-536 (2019) Article DOI: 10.1016/j.ejmech.2019.06.077
Medical University of Lodz Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	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	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 61: 9784-9789 (2018) Article DOI: 10.1021/acs.jmedchem.8b01282 BindingDB Entry DOI: 10.7270/Q2F76G8Q
Vrije Universiteit Brussel Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	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	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Agonist activity at human recombinant MOR expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as induction of calcium mobil...				Eur J Med Chem 179: 527-536 (2019) Article DOI: 10.1016/j.ejmech.2019.06.077
Medical University of Lodz Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 50: 2753-66 (2007) Article DOI: 10.1021/jm061238m BindingDB Entry DOI: 10.7270/Q25B0264
Kobe Gakuin University Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50149384 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Show InChI	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	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 50: 2753-66 (2007) Article DOI: 10.1021/jm061238m BindingDB Entry DOI: 10.7270/Q25B0264
Kobe Gakuin University Curated by ChEMBL					More data for this Ligand-Target Pair