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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADRA1B' and Ligand = 'BDBM50328476'   
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.)
BDBM50328476
PNG
(1-(2-(4-(1-(4-fluorophenyl)-5-((2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(Cc2ccc3n(cc(C4CCN(CCN5CCNC5=O)CC4)c3c2)-c2ccc(F)cc2)n1
Show InChI InChI=1S/C27H31FN8O/c1-33-31-26(30-32-33)17-19-2-7-25-23(16-19)24(18-36(25)22-5-3-21(28)4-6-22)20-8-11-34(12-9-20)14-15-35-13-10-29-27(35)37/h2-7,16,18,20H,8-15,17H2,1H3,(H,29,37)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.560n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair