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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 = 'BDBM50082785'   
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))
BDBM50082785
PNG
(6-Ethyl-3-[3-(4-methoxycarbonyl-4-phenyl-piperidin...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC |t:2|
Show InChI InChI=1S/C31H37N5O8/c1-4-24-25(27(37)43-2)26(21-11-13-23(14-12-21)36(41)42)35(30(40)33-24)29(39)32-17-8-18-34-19-15-31(16-20-34,28(38)44-3)22-9-6-5-7-10-22/h5-7,9-14,26H,4,8,15-20H2,1-3H3,(H,32,39)(H,33,40)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.800n/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: 4764-77 (1999)


BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair