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BDBM50021546 4-Fluoro-3-(1-hydroxy-2-methylamino-ethyl)-phenol::4-Fluoro-3-(1-hydroxy-2-methylamino-ethyl)-phenol(6-FPE)::CHEMBL61372

SMILES: CNCC(O)c1cc(O)ccc1F

InChI Key: InChIKey=YTBMWHRBVZXATF-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50021546   
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 alpha-2


(Homo sapiens (Human))
BDBM50021546
PNG
(4-Fluoro-3-(1-hydroxy-2-methylamino-ethyl)-phenol ...)
Show SMILES CNCC(O)c1cc(O)ccc1F
Show InChI InChI=1S/C9H12FNO2/c1-11-5-9(13)7-4-6(12)2-3-8(7)10/h2-4,9,11-13H,5H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1982-8 (1986)


BindingDB Entry DOI: 10.7270/Q24M96QC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50021546
PNG
(4-Fluoro-3-(1-hydroxy-2-methylamino-ethyl)-phenol ...)
Show SMILES CNCC(O)c1cc(O)ccc1F
Show InChI InChI=1S/C9H12FNO2/c1-11-5-9(13)7-4-6(12)2-3-8(7)10/h2-4,9,11-13H,5H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
230n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL




J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50021546
PNG
(4-Fluoro-3-(1-hydroxy-2-methylamino-ethyl)-phenol ...)
Show SMILES CNCC(O)c1cc(O)ccc1F
Show InChI InChI=1S/C9H12FNO2/c1-11-5-9(13)7-4-6(12)2-3-8(7)10/h2-4,9,11-13H,5H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL




J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50021546
PNG
(4-Fluoro-3-(1-hydroxy-2-methylamino-ethyl)-phenol ...)
Show SMILES CNCC(O)c1cc(O)ccc1F
Show InChI InChI=1S/C9H12FNO2/c1-11-5-9(13)7-4-6(12)2-3-8(7)10/h2-4,9,11-13H,5H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cerebral cortical membranes


J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair