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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082844'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082844
PNG
(6-(2,4-Difluoro-phenyl)-4-ethyl-2-oxo-3,6-dihydro-...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
Show InChI InChI=1S/C28H33F2N7O4/c1-2-21-23(26(32)39)24(18-9-8-17(29)16-20(18)30)37(28(41)34-21)27(40)33-10-5-11-35-12-14-36(15-13-35)22-7-4-3-6-19(22)25(31)38/h3-4,6-9,16,24H,2,5,10-15H2,1H3,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.


J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair