BDBM23448 BUTYLPARABEN::Butyl paraben::Nipabutyl::butyl 4-hydroxybenzoate::cid_7184

SMILES CCCCOC(=O)c1ccc(cc1)O

InChI Key InChIKey=QFOHBWFCKVYLES-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 EC50  1 ITC

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 23448   

TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM23448(butyl 4-hydroxybenzoate | Nipabutyl | BUTYLPARABEN...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay
TargetEstrogen receptor(Human)
Longwood University

Curated by ChEMBL
LigandPNGBDBM23448(butyl 4-hydroxybenzoate | Nipabutyl | BUTYLPARABEN...)
Affinity DataIC50: 1.42E+3nMAssay Description:Displacement of Fluor.ES2 Green from human ERalpha by TR-FRET competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target2-5A-dependent ribonuclease(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM23448(butyl 4-hydroxybenzoate | Nipabutyl | BUTYLPARABEN...)
Affinity DataIC50: 2.40E+6nMAssay Description:Inhibition of recombinant full length H-RNAase L (1 to 741 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate in presence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetOxysterols receptor LXR-beta(Human)
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM23448(butyl 4-hydroxybenzoate | Nipabutyl | BUTYLPARABEN...)
Affinity DataKi:  6.60E+4nMAssay Description:Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 23448   

CellTranscriptional Regulator TtgR(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringePNGBDBM23448(butyl 4-hydroxybenzoate | Nipabutyl | BUTYLPARABEN...)
ITC DataΔG°: -6.51kcal/mole −TΔS°: -2.03kcal/mole ΔH°: -4.48kcal/mole logk: 5.07E+4
pH: 7.0 T: 30.00°C