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SMILES: [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1
InChI Key: InChIKey=LPYYOHCTDGHYSI-UHFFFAOYSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50092711 (CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand. | J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50092711 (CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay. | J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50092711 (CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand. | J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bile salt export pump (Homo sapiens (Human)) | BDBM50092711 (CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membranes using [3H]- 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-a... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50092711 (CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) | 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 | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes | Bioorg Med Chem Lett 22: 1174-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.089 BindingDB Entry DOI: 10.7270/Q2FF3STJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50092711 (CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) | 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 | >3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes | Bioorg Med Chem Lett 22: 1174-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.089 BindingDB Entry DOI: 10.7270/Q2FF3STJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50092711 (CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) | PDB MMDB 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of human ERG | Bioorg Med Chem Lett 22: 1174-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.089 BindingDB Entry DOI: 10.7270/Q2FF3STJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50092711 (CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal Curated by ChEMBL | Assay Description Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand. | J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
