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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50057496'   
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-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50057496
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C30H31N3O4/c1-21-27(34)23-11-8-12-24(29(23)37-28(21)22-9-4-3-5-10-22)30(35)31-15-16-32-17-19-33(20-18-32)25-13-6-7-14-26(25)36-2/h3-14H,15-20H2,1-2H3,(H,31,35)
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PC sid
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Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat liver Alpha-1B adrenergic receptor


J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
More data for this
Ligand-Target Pair