BDBM25767 Timolol::racemic-Timolol::tert-butyl(2-hydroxy-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propyl)amine

SMILES CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1

InChI Key InChIKey=BLJRIMJGRPQVNF-UHFFFAOYSA-N

Data  1 IC50  3 Kd

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 25767   

TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
University Of Nottingham

LigandPNGBDBM25767(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
Affinity DataKd:  5.35nMpH: 7.4 T: 2°CAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM25767(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
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
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
University Of Nottingham

LigandPNGBDBM25767(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
Affinity DataKd:  158nMAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
University Of Nottingham

LigandPNGBDBM25767(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
Affinity DataKd:  0.210nMAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank