BDBM50105774 22-(2-methylallyl)-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol::CHEMBL95319
SMILES: CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
InChI Key: InChIKey=ZFMVWAWSKLAVOE-RFTKNZGOSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50105774 (22-(2-methylallyl)-(2S,13R)-14-oxa-11,22-diazahept...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Displacement of [3H]DADLE from Opioid receptor delta 1 | Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50105774 (22-(2-methylallyl)-(2S,13R)-14-oxa-11,22-diazahept...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from Opioid receptor kappa 1 | Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50105774 (22-(2-methylallyl)-(2S,13R)-14-oxa-11,22-diazahept...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from Opioid receptor mu 1 | Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV | |||||||||||
More data for this Ligand-Target Pair |