BindingDB PrimarySearch

BDBM50123658 3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-(3-fluoro-phenyl)-N-methyl-benzamide::CHEMBL155892

SMILES: C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2cccc(F)c2)[C@@H](C)CN1CC=C

InChI Key: InChIKey=LZXRQLIIMYJZDA-UETOGOEVSA-N

Data: 6 KI 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50123658
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))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from mu opioid receptor in albino Sprague-Dawley rat after 90 mins by liquid scintillation				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
GlaxoSmithKline Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from kappa opioid receptor in albino Sprague-Dawley rat after 90 mins by liquid scintillation				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
GlaxoSmithKline Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
GlaxoSmithKline Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
GlaxoSmithKline Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor in CD1 mouse assessed as electrically induced twitches				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50123658 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES Show InChI	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced twitches				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair