BDBM50216627 (alpha-methyl-1-adamantyl)methylamine::1-Adamantan-1-yl-ethylamine::CHEMBL959::RIMANTADINE::US11241393, Rimantadine::rimantadin::rimantidin

SMILES CC(N)C12CC3CC(CC(C3)C1)C2

InChI Key InChIKey=UBCHPRBFMUDMNC-UHFFFAOYSA-N

Data  6 IC50  5 Kd  3 ITC

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50216627   

TargetSolute carrier family 22 member 2(Human)
University of California

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataIC50:  4.40E+3nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

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In DepthDetails ArticlePubMed
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TargetMultidrug and toxin extrusion protein 2(Human)
University of California

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataIC50:  2.88E+5nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

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TargetMultidrug and toxin extrusion protein 1(Human)
University of California

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataIC50:  7.30E+3nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

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TargetMatrix protein 2(Influenza A virus (A/Udorn/307/1972(H3N2)))
National and Kapodistrian University of Athens

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataKd: >1.00E+7nMAssay 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...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMatrix protein 2(Influenza A virus (A/Udorn/307/1972(H3N2)))
National and Kapodistrian University of Athens

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataKd:  7.00E+3nMAssay 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...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMatrix protein 2(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
National and Kapodistrian University of Athens

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataKd:  510nMAssay Description:Binding affinity to C-terminal amidated influenza A virus A/Udorn/72 (H3N2) M2 transmembrane domain (22 to 46 residues) in DPC micelles at pH 8 asses...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGPC cidPC sidPDBPatentsSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
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TargetMatrix protein 2(Influenza A virus (A/Udorn/307/1972(H3N2)))
National and Kapodistrian University of Athens

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataKd:  510nMAssay Description:Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titrationMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMatrix protein 2(Influenza A virus)
University of Athens

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataKd:  16nMAssay Description:Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectrophotometryMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetPolymerase acidic protein(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Saint Petersburg State University

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataIC50:  1.10E+4nMAssay 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...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetHemagglutinin(Influenza A virus (strain A/Aichi/2/1968 H3N2))
Individual

US Patent

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataIC50:  30nMAssay Description:The cytopathic effect (CPE) inhibition test is used for measuring the antiviral effect. Monolayer cells in 96-well plates are inoculated with 0.1 ml ...More data for this Ligand-Target Pair

Target InfoPDBMMDB
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetMatrix protein 2(Influenza A virus (A/Udorn/307/1972(H3N2)))
National and Kapodistrian University of Athens

Curated by ChEMBL

LigandBDBM50216627((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...)Copy SMILESCopy InChI

Affinity DataIC50:  1.08E+4nMAssay 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...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankKEGGPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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