BDBM50092198 CHEMBL3580743
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
InChI Key: InChIKey=ARPMOQQOTWEYPJ-JZVHMONDSA-N
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 |
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Opioid receptors; mu & delta (Rattus norvegicus (rat)) | BDBM50092198 (CHEMBL3580743) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Lodz Curated by ChEMBL | Assay Description Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis | ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50092198 (CHEMBL3580743) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Medical University of Lodz Curated by ChEMBL | Assay Description Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio... | ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50092198 (CHEMBL3580743) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
Medical University of Lodz Curated by ChEMBL | Assay Description Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele... | ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50092198 (CHEMBL3580743) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Lodz Curated by ChEMBL | Assay Description Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis | ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50092198 (CHEMBL3580743) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Lodz Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis | ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50092198 (CHEMBL3580743) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a |
Medical University of Lodz Curated by ChEMBL | Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat... | ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z | |||||||||||
More data for this Ligand-Target Pair |