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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA A receptor alpha-1/beta-1/gamma-2' and Ligand = 'BDBM98561'   
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
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM98561
PNG
(US8492408, 7d)
Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1ccncc1C#N
Show InChI InChI=1S/C21H17N5O/c1-21(2,27)15-3-4-20-19(9-15)25-13-26(20)16-5-8-24-18(10-16)17-6-7-23-12-14(17)11-22/h3-10,12-13,27H,1-2H3
PDB

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PC cid
PC sid
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US Patent
n/an/a 26n/an/an/an/an/an/a



Aniona APS

US Patent


Assay Description
In vitro inhibition assay using GABA receptor.


US Patent US8492408 (2013)


BindingDB Entry DOI: 10.7270/Q28K77QX
More data for this
Ligand-Target Pair