BDBM50064518 3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-dimethyl-piperidin-4-yl}-phenol::3-{1-[3-(2-Chloro-phenyl)-allyl]-3,4-dimethyl-piperidin-4-yl}-phenol::CHEMBL50594::RTI-5989-23
SMILES: C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1
InChI Key: InChIKey=RRGWRLNJBLFYOG-KISUKSLOSA-N
Data: 9 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (GUINEA PIG) | BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding to Opioid receptor mu 1 in Guinea pig caudate st... | J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.567 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding in Guinea pig caudate stimulated by U69,593 to O... | J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding in Guinea pig caudate stimulated by SMC-80 (Opio... | J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in guinea pig membranes | J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes | J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]U69,593 binding to Opioid receptor kappa 1 of guinea pig membranes | J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes | J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of binding of [3H]DADLE to Opioid receptor delta 1 in guinea pig membranes | J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50064518 (3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain membranes | J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN | |||||||||||
More data for this Ligand-Target Pair |