BDBM50454798 7-Benzylidenenaltrexone::BNTX
SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1)C2=O)ccc3O
InChI Key: InChIKey=WXOUFNFMPVMGFZ-BDQAUFNLSA-N
Data: 11 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)) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin | Bioorg Med Chem 25: 4375-4383 (2017) Article DOI: 10.1016/j.bmc.2017.06.026 BindingDB Entry DOI: 10.7270/Q25T3NZ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes | Bioorg Med Chem 24: 2199-205 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1 | J Med Chem 40: 749-53 (1997) Article DOI: 10.1021/jm960573f BindingDB Entry DOI: 10.7270/Q29887P2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes | Bioorg Med Chem 24: 2199-205 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Inhibitory activity against thrombin | Bioorg Med Chem 25: 4375-4383 (2017) Article DOI: 10.1016/j.bmc.2017.06.026 BindingDB Entry DOI: 10.7270/Q25T3NZ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1 | J Med Chem 40: 749-53 (1997) Article DOI: 10.1021/jm960573f BindingDB Entry DOI: 10.7270/Q29887P2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes measured after 60 mins by scintillation counting method | Bioorg Med Chem Lett 27: 666-669 (2017) BindingDB Entry DOI: 10.7270/Q22V2JBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes | Bioorg Med Chem 24: 2199-205 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Inhibitory activity against thrombin | Bioorg Med Chem 25: 4375-4383 (2017) Article DOI: 10.1016/j.bmc.2017.06.026 BindingDB Entry DOI: 10.7270/Q25T3NZ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1 | J Med Chem 40: 749-53 (1997) Article DOI: 10.1021/jm960573f BindingDB Entry DOI: 10.7270/Q29887P2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50454798 (7-Benzylidenenaltrexone | BNTX) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University School of Pharmacy Curated by ChEMBL | Assay Description Displacement of [3H]U69593 from KOR in guinea pig brain membranes measured after 60 mins by scintillation counting method | Bioorg Med Chem Lett 27: 666-669 (2017) BindingDB Entry DOI: 10.7270/Q22V2JBQ | |||||||||||
More data for this Ligand-Target Pair |