BDBM50001705 CHEMBL343167::methyl 2-[4-cyclopropylmethyl-17-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-10-yloxymethyl]acrylate
SMILES: COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
InChI Key: InChIKey=CLLKOUBFCBEXLC-CKZJNZIISA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50001705 (CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane | J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Opioid receptors; mu/kappa/delta (Homo sapiens (Human)) | BDBM50001705 (CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...) | PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of total opioid receptor by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane | J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50001705 (CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membrane | J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50001705 (CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig brain membrane | J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK | |||||||||||
More data for this Ligand-Target Pair |