BDBM50154036 (S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one::2-Amino-3-(4-hydroxy-phenyl)-1-[3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-propan-1-one::CHEMBL361274
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
InChI Key: InChIKey=SWZLGDBFWBZXTL-ZCYQVOJMSA-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)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C. Curated by ChEMBL | Assay Description Binding affinity to rat delta opioid receptor | Bioorg Med Chem Lett 22: 4869-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.042 BindingDB Entry DOI: 10.7270/Q2F76DP8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat brain | Bioorg Med Chem Lett 16: 2505-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.082 BindingDB Entry DOI: 10.7270/Q29G5MDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Binding affinity for delta opioid receptor of rat brain | J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C. Curated by ChEMBL | Assay Description Binding affinity to rat mu opioid receptor | Bioorg Med Chem Lett 22: 4869-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.042 BindingDB Entry DOI: 10.7270/Q2F76DP8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain | Bioorg Med Chem Lett 16: 2505-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.082 BindingDB Entry DOI: 10.7270/Q29G5MDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Binding affinity for Mu opioid receptor of rat brain | J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Binding affinity for kappa opioid receptor of guinea pig cerebellum | J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >30 | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of rabbit vas deferens contractions | J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C. Curated by ChEMBL | Assay Description Agonist activity at delta opioid receptor expressed in CHO-hg cells by [35S]-GTPgammaS binding assay | Bioorg Med Chem Lett 22: 4869-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.042 BindingDB Entry DOI: 10.7270/Q2F76DP8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes | J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of delta opioid receptor mediated GTPgammaS binding to CHO cell membranes | J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells | Bioorg Med Chem Lett 16: 2505-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.082 BindingDB Entry DOI: 10.7270/Q29G5MDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C. Curated by ChEMBL | Assay Description Binding affinity to human mu opioid receptor | Bioorg Med Chem Lett 22: 4869-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.042 BindingDB Entry DOI: 10.7270/Q2F76DP8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50154036 ((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Activity against mu opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells | Bioorg Med Chem Lett 16: 2505-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.082 BindingDB Entry DOI: 10.7270/Q29G5MDZ | |||||||||||
More data for this Ligand-Target Pair |