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

Data: 5 IC50  1 Kd  1 EC50

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.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 12590   

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
Prothrombin (Homo sapiens (Human))	BDBM12590 ((6-aminoacridin-3-yl)amine | MLS003876812 | Profla...) Show SMILES Nc1ccc2cc3ccc(N)cc3nc2c1 Show InChI InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2	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...) Show SMILES Nc1ccc2cc3ccc(N)cc3nc2c1 Show InChI InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2	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...) Show SMILES Nc1ccc2cc3ccc(N)cc3nc2c1 Show InChI InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2	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...) Show SMILES Nc1ccc2cc3ccc(N)cc3nc2c1 Show InChI InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2	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...) Show SMILES Nc1ccc2cc3ccc(N)cc3nc2c1 Show InChI InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2	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...) Show SMILES Nc1ccc2cc3ccc(N)cc3nc2c1 Show InChI InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2	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...) Show SMILES Nc1ccc2cc3ccc(N)cc3nc2c1 Show InChI InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2	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