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

SMILES c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O

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
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 13 hits for monomerid = 50077844   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThymidylate synthase(Enterococcus faecalis (strain ATCC 700802 / V583))
Universita Degli Studi Di Modena E Reggio Emilia

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetEstrogen receptor(Human)
Sabic Global Technologies

US Patent
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
4/12/2018
Entry Details
US Patent

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Escherichia coli (strain K12))
Università

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
Affinity DataKi:  4.70E+3nMAssay Description:In vitro inhibition of Lactobacillus casei Thymidylate synthase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetThymidylate synthase(Lactobacillus casei)
Universita Degli Studi Di Modena E Reggio Emilia

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
Affinity DataKi:  7.00E+3nMAssay Description:Inhibition of Lactobacillus casei thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetEstrogen receptor beta(Human)
Sabic Global Technologies

US Patent
LigandChemical structure of BindingDB Monomer ID 50077844BDBM50077844(cid_4764 | Phenolphthalein | CHEMBL63857 | 3,3-Bis...)
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 Depth
Date in BDB:
4/12/2018
Entry Details
US Patent