BDBM50077844 3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one::CHEMBL63857::Phenolphthalein::US9688816, O::cid_4764

SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1

InChI Key InChIKey=KJFMBFZCATUALV-UHFFFAOYSA-N

Data  5 KI  3 IC50  5 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50077844   

TargetThymidylate synthase(Human)
Universita Degli Studi Di Modena E Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of human thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assayMore data for this Ligand-Target Pair
TargetThymidylate synthase(Enterococcus faecalis (strain ATCC 700802 / V583))
Universita Degli Studi Di Modena E Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of Enterococcus faecalis thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli (strain K12))
Università

Curated by ChEMBL
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataKi:  4.70E+3nMAssay Description:In vitro inhibition of Lactobacillus casei Thymidylate synthase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Universita Degli Studi Di Modena E Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataKi:  4.70E+3nMAssay Description:Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Universita Degli Studi Di Modena E Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataKi:  7.00E+3nMAssay Description:Inhibition of Lactobacillus casei thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataIC50:  6.67E+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 PCBioAssay
TargetEstrogen receptor beta(Human)
Sabic Global Technologies

US Patent
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataIC50:  1.40E+4nMAssay Description:Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataEC50:  2.31E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataEC50:  3.29E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor(Human)
Sabic Global Technologies

US Patent
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataIC50:  3.70E+3nMAssay Description:Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataEC50:  8.04E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataEC50:  1.80E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50077844(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Affinity DataEC50:  1.18E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay