BDBM50041568 17-(cyclopropylmethyl)-17'-[2-[(carbobenzyloxy)amino]ethyl]-6,6',7,7'-tetradehydro-4,5:4',5'-diepoxy-6,6'-imino-7,7'-bimorphinan-3,3',14,14'-tetrol::CHEMBL284522
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C=C8N(CCNC(=O)OCc9ccccc9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
InChI Key: InChIKey=KMSCRBUSFBVFLD-COTKPVQASA-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)) | BDBM50041568 (17-(cyclopropylmethyl)-17'-[2-[(carbobenzyloxy)ami...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.360 | 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 | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50041568 (17-(cyclopropylmethyl)-17'-[2-[(carbobenzyloxy)ami...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 70 | 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 | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50041568 (17-(cyclopropylmethyl)-17'-[2-[(carbobenzyloxy)ami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 117 | 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 |