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 35 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
TargetTransitional endoplasmic reticulum ATPase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2513WMGPCBioAssay
TargetProtein-tyrosine kinase 2-beta(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 6.95E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2H993M3PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2P26WJQPCBioAssay
TargetPhotoreceptor-specific nuclear receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 3.98E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2D21W22PCBioAssay
TargetIsoform 2 of Nuclear receptor corepressor 2 (TRAC-1)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.84E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28914BQPCBioAssay
TargetProtein-arginine deiminase type-4(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.60E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PK0DMQPCBioAssay
TargetPerilipin-1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.23E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2HT2MS2PCBioAssay
TargetPerilipin-5(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 6.44E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2D21W3HPCBioAssay
TargetCysteine protease ATG4B(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.25E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BZ64H1PCBioAssay
TargetPhospholipase A2(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 4.28E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26M35BCPCBioAssay
TargetCaspase-9(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 903nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25M647FPCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 549nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JS9NZBPCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2F18X8SPCBioAssay
TargetReceptor-type tyrosine-protein phosphatase C(Homo sapiens (Human))
United States Army Medical Research Institute of Infectious Diseases

LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Protein phosphatases were purchased from Upstate Biotechnology (Lake Placid, NY).More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J67FJVPubMed
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T](Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 6.37E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NC5ZV0PCBioAssay
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.91E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2WS8RXVPCBioAssay
Target1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.22E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S46QKQPCBioAssay
TargetGenome polyprotein(Human rhinovirus B)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibitory activity against HRV 3Cpro using HPLC assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2T43SDGPubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
AstraZeneca Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibitory concentration against PTP1B using lck as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2X34WQQPubMed
TargetReceptor-type tyrosine-protein phosphatase C(Homo sapiens (Human))
United States Army Medical Research Institute of Infectious Diseases

LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:In vitro inhibitory activity against the cytosolic portion of CD45 protein-tyrosine phosphatase using pNPP as the substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2X34WQQPubMed
TargetReceptor-type tyrosine-protein phosphatase C(Homo sapiens (Human))
United States Army Medical Research Institute of Infectious Diseases

LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibitory concentration against CD45 protein-tyrosine phosphatase using lck-10mer as substrateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2X34WQQPubMed
TargetPapain(Carica papaya)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 9.10E+4nMAssay Description:Inhibitory activity against papain using HPLC assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2T43SDGPubMed
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataEC50: >5.00E+4nMAssay Description:List of compounds to be tested: Compounds that met the active criterion of Z-score is More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2N58JS6PCBioAssay
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.01E+4nMAssay Description:List of compounds to be tested: Compounds that met the active criterion of Z-score is More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2T72FVTPCBioAssay
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataEC50: >5.00E+4nMAssay Description:List of compounds to be tested: Compounds that met the active criterion of Z-score is More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Z036KJPCBioAssay
TargetFocal adhesion kinase 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GX48ZNPCBioAssay
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))TBA
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 1.92E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27948Q4PubMed
TargetTelomerase reverse transcriptase(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human recombinant telomerase activity in rabbit reticulocytes after 90 mins by telomerase assemblage gel electrophoresisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN67WHPubMed
TargetTelomerase reverse transcriptase(Homo sapiens (Human))
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM22857(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)copy SMILEScopy InChI
Affinity DataIC50: 500nMAssay Description:Inhibition of pre-assembled human recombinant telomerase activity in rabbit reticulocytes after 90 mins by gel electrophoresis method based direct pr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN67WHPubMed