BDBM22814 5-bromo-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 34::LOR-NEU-c8f11034-3
SMILES: Brc1ccc2NC(=O)C(=O)c2c1
InChI Key: InChIKey=MBVCESWADCIXJN-UHFFFAOYSA-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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Carboxylesterase 1 (Oryctolagus cuniculus (rabbit)) | BDBM22814 (5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM22814 (5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM22814 (5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 3.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM22814 (5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM22814 (5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human)) | BDBM22814 (5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University Curated by ChEMBL | Assay Description Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay | Bioorg Med Chem Lett 21: 2692-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.037 BindingDB Entry DOI: 10.7270/Q2CN7471 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM22814 (5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | n/a | n/a | 3.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
Israel Institution of Biological Research | Assay Description The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi... | bioRxiv 2021: (2021) | |||||||||||
More data for this Ligand-Target Pair |