BDBM22853 1,2-Dione-Based Compound, 10::1,2-dihydroacenaphthylenedione
SMILES: O=c1c2cccc3cccc(c23)c1=O
InChI Key: InChIKey=AFPRJLBZLPBTPZ-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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Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 31 | -10.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
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: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assay | J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 170 | -9.23 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
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: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylesterase 2 (Homo sapiens (Human)) | BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) | NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay | J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 2.97E+3 | 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: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology Curated by ChEMBL | Assay Description Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay | Eur J Med Chem 60: 410-20 (2013) Article DOI: 10.1016/j.ejmech.2012.12.016 BindingDB Entry DOI: 10.7270/Q2959JVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB 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: 5727-34 (2007) Article DOI: 10.1021/jm0706867 BindingDB Entry DOI: 10.7270/Q2Q52MWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.43E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology Curated by ChEMBL | Assay Description Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay | Eur J Med Chem 60: 410-20 (2013) Article DOI: 10.1016/j.ejmech.2012.12.016 BindingDB Entry DOI: 10.7270/Q2959JVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM22853 (1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 3.25E+5 | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology Curated by ChEMBL | Assay Description Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis | Eur J Med Chem 59: 141-9 (2013) Article DOI: 10.1016/j.ejmech.2012.10.050 BindingDB Entry DOI: 10.7270/Q25B03V2 | |||||||||||
More data for this Ligand-Target Pair |