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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adrenergic alpha1B' and Ligand = 'BDBM50082799'   
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))
BDBM50082799
PNG
(4-(4-Fluoro-phenyl)-3-[3-(4-methoxycarbonyl-4-phen...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
Show InChI InChI=1S/C30H35FN4O6/c1-20-24(26(36)40-2)25(21-10-12-23(31)13-11-21)35(29(39)33-20)28(38)32-16-7-17-34-18-14-30(15-19-34,27(37)41-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,32,38)(H,33,39)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
78n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.


J Med Chem 42: 4764-77 (1999)


BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair