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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
10
hits in this display
Target
Replicase polyprotein 1ab
(2019-nCoV)
Fraunhofer Institute For Translational Medicine and Pharmacology (Itmp) and Fraunhofer Cluster of Excellence For Immune Mediated Diseases (Cimd
Ligand
BDBM12590
((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...)
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Affinity Data
IC50: 830nM
Assay Description:
Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...
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3D Structure (crystal)
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Fraunhofer Institute For Translational Medicine and Pharmacology (Itmp) and Fraunhofer Cluster of Excellence For Immune Mediated Diseases (Cimd
Ligand
BDBM12590
((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...)
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Affinity Data
IC50: 1.46E+3nM
Assay Description:
Inhibition of SARS-CoV-2 papain-like protease using ISG15-AMC as substrate
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KEGG
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ChEBI
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Article
PubMed
PDB
3D Structure (crystal)
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Target
Replicase polyprotein 1ab
(2019-nCoV)
Fraunhofer Institute For Translational Medicine and Pharmacology (Itmp) and Fraunhofer Cluster of Excellence For Immune Mediated Diseases (Cimd
Ligand
BDBM12590
((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...)
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Affinity Data
IC50: 1.66E+3nM
Assay Description:
Inhibition of SARS-CoV-2 papain-like protease using RLRGG-AMC as substrate
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Target Info
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KEGG
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Article
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PDB
3D Structure (crystal)
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Target
PC4 and SFRS1-interacting protein
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM12590
((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...)
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Affinity Data
IC50: 4.34E+3nM
Assay Description:
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...
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Target Info
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PCBioAssay
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Target
PC4 and SFRS1-interacting protein
(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center
Curated by
PubChem BioAssay
Ligand
BDBM12590
((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...)
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Affinity Data
IC50: 4.46E+3nM
Assay Description:
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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antibodypedia
GoogleScholar
Ligand Info
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Target
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human))
Southern Research Institute
Curated by
PubChem BioAssay
Ligand
BDBM12590
((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...)
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Affinity Data
IC50: 8.88E+3nM
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Target
Prothrombin
(Homo sapiens (Human))
Astex
Ligand
BDBM12590
((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...)
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Affinity Data
IC50: 1.20E+4nM
pH: 8.0 T: 2°C
Assay Description:
The cleavage of the substrate was followed by monitoring the change in fluorescence at 460 nm (excitation at 365 nm) for 25 min at room temperature o...
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Target
Major pollen allergen Bet v 1-A
(Betula pendula)
University Of Innsbruck
Curated by
ChEMBL
Ligand
BDBM12590
((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...)
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Affinity Data
Kd: 1.40E+5nM
Assay Description:
Binding affinity to birch major pollen allergen Bet v 1-A assessed as binding constant at 1H-6 resonance by (1)H relaxation dispersion NMR spectrosco...
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Host:
BDBM197310
(SAMPL5, CBClip)
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University of California San Diego
Ligand
BDBM197317
(SAMPL5, CBC-G4)
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Affinity Data
Kd: 5.00E+3nM
pH: 7.4 T: 2°C
Assay Description:
The experimental studies were carried out in 20 mM sodium phosphate buffer at pH7.4, at a temperature of 298 K.
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Host Info
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PubMed
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Target
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human))
Southern Research Institute
Curated by
PubChem BioAssay
Ligand
BDBM12590
((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...)
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Affinity Data
EC50: >5.00E+4nM
More data for this Ligand-Target Pair
Target Info
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MMDB
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