BDBM25769 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol::Levalbuterol::Proventil::Salbutamol::Salbutamol,(+/-)::albuterol

SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1

InChI Key InChIKey=NDAUXUAQIAJITI-UHFFFAOYSA-N

Data  8 KI  14 IC50  14 Kd  10 EC50

PDB links: 3 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 25769   

TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Institute of Cell Signaling

Curated by PDSP Ki Database
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataKi:  510nM ΔG°:  -8.49kcal/mole IC50:  980nM EC50:  19nMpH: 7.4 T: 2°CAssay Description:In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...More data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Institute of Cell Signaling

Curated by PDSP Ki Database
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50:  2.00E+3nMAssay Description:Displacement of [3H]dihydroalprenolol from beta2-adrenoceptor after 90 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(GUINEA PIG)
Ohio State University

Curated by PDSP Ki Database
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50:  17nMAssay Description:Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf21 cell membrane vesicles assessed as reduction in ATP-dependent [3H]-tauroc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM25769(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed