BDBM12590 (6-aminoacridin-3-yl)amine::MLS003876812::Proflavin::Proflavine::SMR002533346::acridine-3,6-diamine::cid_7099
SMILES: Nc1ccc2cc3ccc(N)cc3nc2c1
InChI Key: InChIKey=WDVSHHCDHLJJJR-UHFFFAOYSA-N
PDB links: 9 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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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Prothrombin (Homo sapiens (Human)) | BDBM12590 ((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | 8.0 | 22 |
Astex | 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... | J Med Chem 49: 1346-55 (2006) Article DOI: 10.1021/jm050850v BindingDB Entry DOI: 10.7270/Q20863J2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
lens epithelium-derived growth factor p75 (Homo sapiens (Human)) | BDBM12590 ((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2Q52N9H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
lens epithelium-derived growth factor p75 (Homo sapiens (Human)) | BDBM12590 ((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2KD1WKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM12590 ((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD) | Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... | bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human)) | BDBM12590 ((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Southern Research Institute Curated by PubChem BioAssay | PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2CZ35ZF | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Major pollen allergen Bet v 1-A (Betula pendula) | BDBM12590 ((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | 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... | J Med Chem 59: 10788-10793 (2016) Article DOI: 10.1021/acs.jmedchem.6b01110 BindingDB Entry DOI: 10.7270/Q28W3G8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human)) | BDBM12590 ((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 8.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute Curated by PubChem BioAssay | PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2CZ35ZF | ||||||||||||
More data for this Ligand-Target Pair |