BDBM29680 2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-3-(3-methoxyphenyl)quinazolin-4-one::2-[(6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3-methoxyphenyl)-4-quinazolinone::2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one::2-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one::MLS000409303::SMR000247593::cid_5691857

SMILES COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O

InChI Key InChIKey=UIJVLXZGLBZCPF-UHFFFAOYSA-N

Data  14 IC50  1 EC50

  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 15 hits for monomerid = 29680   

TargetRunt-related transcription factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  1.93E+4nMpH: 7.4 T: 2°CAssay Description:This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPC4 and SFRS1-interacting protein(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  3.81E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
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 PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  2.72E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  2.11E+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 PCBioAssay
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  1.56E+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 PCBioAssay
TargetGenome polyprotein(Hepatitis C virus)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  2.31E+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 PCBioAssay
TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataEC50:  1.82E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50: >1.09E+5nMAssay 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 PCBioAssay
TargetBcl-2-like protein 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  1.09E+5nMAssay 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 PCBioAssay
TargetRecBCD enzyme subunit RecD(Escherichia coli str. K-12 substr. MG1655)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50: >1.19E+5nMAssay 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 PCBioAssay
TargetLow molecular weight phosphotyrosine protein phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  5.31E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetLow molecular weight phosphotyrosine protein phosphatase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50: >8.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPC4 and SFRS1-interacting protein(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  4.64E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetRunt-related transcription factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM29680(2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-...)
Affinity DataIC50:  1.93E+4nMpH: 7.4 T: 2°CAssay Description:This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential thera...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay