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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adrenergic alpha1B' and Ligand = 'BDBM50172993'   
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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50172993
PNG
(CHEMBL3810187)
Show SMILES CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c1
Show InChI InChI=1/C27H36F3N3O4/c1-3-19-5-6-23(37-17-27(28,29)30)24(16-19)36-12-8-32-18(2)13-20-14-21-7-10-33(9-4-11-34)25(21)22(15-20)26(31)35/h5-6,14-16,18,32,34H,3-4,7-13,17H2,1-2H3,(H2,31,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.49E+3n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair