BindingDB PrimarySearch

BDBM50297287 (S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)propanoate::CHEMBL551937

SMILES: C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1

InChI Key: InChIKey=OEZKDFBBWQUWLW-SZJUTTIESA-N

Data: 2 KI 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50297287
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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50297287 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
University of Cagliari Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50297287 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.411	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
University of Cagliari Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50297287 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...) 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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
University of Cagliari Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50297287 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...) Show SMILES Show InChI	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71.7	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
University of Cagliari Curated by ChEMBL					More data for this Ligand-Target Pair