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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor' and Ligand = 'BDBM50019959'   
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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019959
PNG
(1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.870n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1934-40 (1988)


BindingDB Entry DOI: 10.7270/Q2SJ1JMB
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019959
PNG
(1-(4-Fluoro-phenyl)-4-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.870n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL




J Med Chem 30: 2099-104 (1987)


BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair