null

SMILES O=C1C(=O)c2ccccc2-c2ccccc12

InChI Key InChIKey=YYVYAPXYZVYDHN-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 22857   

TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataKi:  2.5nMAssay Description:Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0HWJPubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataKi:  2.5nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Q52MWQPubMed
TargetCocaine esterase(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataKi:  52nMAssay Description:Inhibition of human iCE using o-NPA as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VX0HWJPubMed
TargetCoagulation factor XII(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataKi:  52nM ΔG°:  -9.93kcal/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Q52MWQPubMed
TargetCholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataKi:  190nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Q52MWQPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
St. Jude Research Hospital

LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+5nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Q52MWQPubMed