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BDBM50007478 4-(3-tert-Butylamino-2-hydroxy-propoxy)-5-fluoro-benzene-1,2-diol::CHEMBL10494

SMILES: CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F

InChI Key: InChIKey=JEUSMJOCKAGUHH-UHFFFAOYSA-N

Data: 1 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50007478   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50007478
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-5-fluoro-b...)
Show SMILES CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F
Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-12-5-11(18)10(17)4-9(12)14/h4-5,8,15-18H,6-7H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.70E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 34: 1063-8 (1991)


BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50007478
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-5-fluoro-b...)
Show SMILES CC(C)(C)NCC(O)COc1cc(O)c(O)cc1F
Show InChI InChI=1S/C13H20FNO4/c1-13(2,3)15-6-8(16)7-19-12-5-11(18)10(17)4-9(12)14/h4-5,8,15-18H,6-7H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 175n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria


J Med Chem 34: 1063-8 (1991)


BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair