BDBM50088381 ADL 8-2698::ALVIMOPAN::Alvimopan::Entereg
SMILES: C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1
InChI Key: InChIKey=UPNUIXSCZBYVBB-JVFUWBCBSA-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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Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | DrugBank Article PubMed | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma US, Inc Curated by ChEMBL | Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes | Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | DrugBank Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma US, Inc Curated by ChEMBL | Assay Description Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes | Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma US, Inc Curated by ChEMBL | Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes | Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.31E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I... | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and... | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | DrugBank Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
R&D Centre, Alkem Laboratories Ltd. , Peenya Ind. Area, 3rd Stage, Bangalore 560 058, India. Curated by ChEMBL | Assay Description Antagonist activity at recombinant human MOR expressed in HEK293T cells assessed as reduction in DAMGO-induced inhibition of forskolin-stimulated cAM... | J Med Chem 60: 6733-6750 (2017) Article DOI: 10.1021/acs.jmedchem.7b00643 BindingDB Entry DOI: 10.7270/Q2VT1VK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium channel (Type L) (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I... | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | DrugBank Article PubMed | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
R&D Centre, Alkem Laboratories Ltd. , Peenya Ind. Area, 3rd Stage, Bangalore 560 058, India. Curated by ChEMBL | Assay Description Antagonist activity at recombinant human MOR expressed in HEK293T cells assessed as reduction in DAMGO-induced inhibition of forskolin-stimulated cAM... | J Med Chem 60: 6733-6750 (2017) Article DOI: 10.1021/acs.jmedchem.7b00643 BindingDB Entry DOI: 10.7270/Q2VT1VK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1 (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform | J Pharmacol Toxicol Methods 70: 246-54 (2014) Article DOI: 10.1016/j.vascn.2014.07.002 BindingDB Entry DOI: 10.7270/Q2J104W7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50088381 (ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair |