BDBM50041573 17-(cyclopropylmethyl)-17'-butyl-6,6',7,7'-tetradehydro-4,5:4',5'-diepoxy-6,6'-imino-7,7'-bimorphinan-3,3',14,14'-tetrol::CHEMBL285410
SMILES: CCCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c2C[C@@]3(O)[C@H]6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
InChI Key: InChIKey=QUHICZCAIBKQSC-YAUKWVCOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50041573 (17-(cyclopropylmethyl)-17'-butyl-6,6',7,7'-tetrade...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand | J Med Chem 37: 1495-500 (1994) BindingDB Entry DOI: 10.7270/Q2XP75K7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50041573 (17-(cyclopropylmethyl)-17'-butyl-6,6',7,7'-tetrade...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description The binding affinity on delta-opioid receptor using [3H]- DPDPE as radioligand | J Med Chem 37: 1495-500 (1994) BindingDB Entry DOI: 10.7270/Q2XP75K7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50041573 (17-(cyclopropylmethyl)-17'-butyl-6,6',7,7'-tetrade...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description The binding affinity against mu-opioid receptor using [3H]- DAMGO as radioligand | J Med Chem 37: 1495-500 (1994) BindingDB Entry DOI: 10.7270/Q2XP75K7 | |||||||||||
More data for this Ligand-Target Pair |