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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50116202'   
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-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116202
PNG
(1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-t...)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1
Show InChI InChI=1S/C22H31N3O2S/c1-27-21-7-3-2-6-20(21)24-14-12-23(13-15-24)16-18-9-10-19(28-18)17-25-11-5-4-8-22(25)26/h2-3,6-7,9-10,22,26H,4-5,8,11-17H2,1H3
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PC cid
PC sid
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PubMed
130n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes


Bioorg Med Chem Lett 12: 2145-8 (2002)


BindingDB Entry DOI: 10.7270/Q2DJ5F04
More data for this
Ligand-Target Pair