BDBM50216627 (alpha-methyl-1-adamantyl)methylamine::1-Adamantan-1-yl-ethylamine::CHEMBL959::RIMANTADINE::rimantadin::rimantidin
SMILES: CC(N)C12CC3CC(CC(C3)C1)C2
InChI Key: InChIKey=UBCHPRBFMUDMNC-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Solute carrier family 22 member 2 (Homo sapiens (Human)) | BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human)) | BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.88E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human)) | BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix protein 2 (Influenza A virus (A/Udorn/307/1972(H3N2))) | BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens Curated by ChEMBL | Assay Description Binding affinity to Influenza A virus A/Udorn/72 M2 proton channel S31N mutant expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage... | ACS Med Chem Lett 9: 198-203 (2018) Article DOI: 10.1021/acsmedchemlett.7b00458 BindingDB Entry DOI: 10.7270/Q2GQ71F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PA/PB1 (Hepatitis C virus) | BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University Curated by ChEMBL | Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c... | Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix protein 2 (Influenza A virus (A/Udorn/307/1972(H3N2))) | BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens Curated by ChEMBL | Assay Description Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at... | ACS Med Chem Lett 9: 198-203 (2018) Article DOI: 10.1021/acsmedchemlett.7b00458 BindingDB Entry DOI: 10.7270/Q2GQ71F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix protein 2 (Influenza A virus (A/Udorn/307/1972(H3N2))) | BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens Curated by ChEMBL | Assay Description Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration | ACS Med Chem Lett 9: 198-203 (2018) Article DOI: 10.1021/acsmedchemlett.7b00458 BindingDB Entry DOI: 10.7270/Q2GQ71F3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix protein 2 (Influenza A virus) | BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
University of Athens Curated by ChEMBL | Assay Description Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectrophotometry | Bioorg Med Chem Lett 20: 4182-7 (2010) Article DOI: 10.1016/j.bmcl.2010.05.049 BindingDB Entry DOI: 10.7270/Q2X92F3K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix protein 2 (Influenza A virus (A/Udorn/307/1972(H3N2))) | BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a |
National and Kapodistrian University of Athens Curated by ChEMBL | Assay Description Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage c... | ACS Med Chem Lett 9: 198-203 (2018) Article DOI: 10.1021/acsmedchemlett.7b00458 BindingDB Entry DOI: 10.7270/Q2GQ71F3 | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM50216627 | CHEBI KEGG MMDB PC cid PC sid PDB | DrugBank KEGG PC cid PC sid PDB | -6.30 | 0.521 | -6.83 | 4.55 | 7 | 30.1 | |
Universidade de Santiago de Compostela | J Phys Chem B 109: 9719-26 (2005) | |||||||||
BDBM36127 | BDBM50216627 | CHEBI PC cid PC sid | DrugBank KEGG PC cid PC sid PDB | -5.94 | 0.0362 | -5.98 | 4.29 | 7 | 30.1 | |
Universidade de Santiago de Compostela | J Phys Chem B 109: 9719-26 (2005) | |||||||||
BDBM36250 | BDBM50216627 | PC cid PC sid | DrugBank KEGG PC cid PC sid PDB | -3.30 | 0.847 | -4.13 | 2.38 | 7 | 30.1 | |
Universidade de Santiago de Compostela | J Phys Chem B 109: 9719-26 (2005) |