BDBM50221415 (1S,2S,13R,21R)-7-bromo-22-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol::CHEMBL401094
SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Br)cc12)ccc5O
InChI Key: InChIKey=XIWWCBHODSBFOV-LMDOGRNLSA-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)) | BDBM50221415 ((1S,2S,13R,21R)-7-bromo-22-methyl-14-oxa-11,22-dia...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Displacement of [3H]p-Cl-DPDPE from delta opioid receptor | Bioorg Med Chem Lett 17: 5916-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.098 BindingDB Entry DOI: 10.7270/Q2RV0NFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50221415 ((1S,2S,13R,21R)-7-bromo-22-methyl-14-oxa-11,22-dia...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Activity at mu opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding | Bioorg Med Chem Lett 17: 5916-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.098 BindingDB Entry DOI: 10.7270/Q2RV0NFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50221415 ((1S,2S,13R,21R)-7-bromo-22-methyl-14-oxa-11,22-dia...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from cloned kappa opioid receptor | Bioorg Med Chem Lett 17: 5916-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.098 BindingDB Entry DOI: 10.7270/Q2RV0NFR | |||||||||||
More data for this Ligand-Target Pair |