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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50002318'   
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/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50002318
PNG
(1,1-Bis-(4-fluoro-phenyl)-4-(4-pyrimidin-2-yl-pipe...)
Show SMILES OC(CCCN1CCN(CC1)c1ncccn1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H26F2N4O/c25-21-7-3-19(4-8-21)24(31,20-5-9-22(26)10-6-20)11-1-14-29-15-17-30(18-16-29)23-27-12-2-13-28-23/h2-10,12-13,31H,1,11,14-18H2
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PC cid
PC sid
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PubMed
n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro


J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair