BDBM50265253 (S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl)propanamide::CHEMBL525917
SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=IAWFZVSZFNIINF-NRFANRHFSA-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 |
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Cholinesterases (Homo sapiens (Human)) | BDBM50265253 ((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL | Assay Description Inhibition of human recombinant BChE | Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50265253 ((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50265253 ((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ... | Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, endothelial (Rattus norvegicus) | BDBM50265253 ((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins | Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50265253 ((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove Curated by ChEMBL | Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured... | Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 | |||||||||||
More data for this Ligand-Target Pair |