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BDBM50225287 CHEMBL101340

SMILES: FC(F)(F)c1ccc(Cl)c(NC2=NCCN2)c1

InChI Key: InChIKey=WIAICRSVMJHHJL-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50225287   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225287
PNG
(CHEMBL101340)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC2=NCCN2)c1 |t:11|
Show InChI InChI=1S/C10H9ClF3N3/c11-7-2-1-6(10(12,13)14)5-8(7)17-9-15-3-4-16-9/h1-2,5H,3-4H2,(H2,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 470n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.4 nM) to rat isolated brain membr...


J Med Chem 27: 495-503 (1984)


BindingDB Entry DOI: 10.7270/Q24B31WH
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225287
PNG
(CHEMBL101340)
Show SMILES FC(F)(F)c1ccc(Cl)c(NC2=NCCN2)c1 |t:11|
Show InChI InChI=1S/C10H9ClF3N3/c11-7-2-1-6(10(12,13)14)5-8(7)17-9-15-3-4-16-9/h1-2,5H,3-4H2,(H2,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against (-)-phenylephrine or (-)-norepinephrine-induced alpha1-adrenoceptor-mediated vasoconstriction of rabbit isolated...


J Med Chem 27: 495-503 (1984)


BindingDB Entry DOI: 10.7270/Q24B31WH
More data for this
Ligand-Target Pair