BDBM50087459 17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,7'-tetradehydro-4,5 alpha : 4',5' alpha-diepoxy-6,6'-(imino)[7,7'-bimorphinan]-3,3',14,14'-tetrol
SMILES: CC(=O)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2C[C@@]3(O)C6Cc7ccc(O)c8O[C@@H](c2[nH]c41)[C@]3(CCN6CC1CC1)c78)ccc5O
InChI Key: InChIKey=LNJHASBKWJLOSC-VJUNHVAPSA-N
Data: 5 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 (Homo sapiens (Human)) | BDBM50087459 (17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 23.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells | J Med Chem 43: 1573-6 (2000) BindingDB Entry DOI: 10.7270/Q2FF3T23 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50087459 (17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells | J Med Chem 43: 1573-6 (2000) BindingDB Entry DOI: 10.7270/Q2FF3T23 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50087459 (17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor mu 1 in COS-7 cells | J Med Chem 43: 1573-6 (2000) BindingDB Entry DOI: 10.7270/Q2FF3T23 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50087459 (17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity using [3H]diprenorphine as the radioligand against E297A mutant Opioid receptor kappa 1 in COS-7 cells | J Med Chem 43: 1573-6 (2000) BindingDB Entry DOI: 10.7270/Q2FF3T23 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50087459 (17-cyclopropylmethyl-17'-acetyl-3'-hydroxy-6,6',7,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity using [3H]diprenorphine as the radioligand against E297K mutant Opioid receptor kappa 1 in COS-7 cells | J Med Chem 43: 1573-6 (2000) BindingDB Entry DOI: 10.7270/Q2FF3T23 | |||||||||||
More data for this Ligand-Target Pair |