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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADRA1B' and Ligand = 'BDBM50122808'   
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
ADRA1B


(C.H.O.)
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair