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BDBM50042996 4-(2-Amino-1-hydroxy-ethyl)-3,6-difluoro-benzene-1,2-diol(2,5-DiFNE)::CHEMBL338564

SMILES: NCC(O)c1cc(F)c(O)c(O)c1F

InChI Key: InChIKey=JLFJXILSJPVQAB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50042996   
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


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50042996
PNG
(4-(2-Amino-1-hydroxy-ethyl)-3,6-difluoro-benzene-1...)
Show SMILES NCC(O)c1cc(F)c(O)c(O)c1F
Show InChI InChI=1S/C8H9F2NO3/c9-4-1-3(5(12)2-11)6(10)8(14)7(4)13/h1,5,12-14H,2,11H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.50E+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))
BDBM50042996
PNG
(4-(2-Amino-1-hydroxy-ethyl)-3,6-difluoro-benzene-1...)
Show SMILES NCC(O)c1cc(F)c(O)c(O)c1F
Show InChI InChI=1S/C8H9F2NO3/c9-4-1-3(5(12)2-11)6(10)8(14)7(4)13/h1,5,12-14H,2,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.60E+3n/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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50042996
PNG
(4-(2-Amino-1-hydroxy-ethyl)-3,6-difluoro-benzene-1...)
Show SMILES NCC(O)c1cc(F)c(O)c(O)c1F
Show InChI InChI=1S/C8H9F2NO3/c9-4-1-3(5(12)2-11)6(10)8(14)7(4)13/h1,5,12-14H,2,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.40E+4n/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