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USPatent US8492408

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM98558
PNG
(US8492408, 7a)
Show SMILES COc1ncccc1-c1cc(ccn1)-n1cnc2cc(ccc12)C(C)(C)O
Show InChI InChI=1S/C21H20N4O2/c1-21(2,26)14-6-7-19-18(11-14)24-13-25(19)15-8-10-22-17(12-15)16-5-4-9-23-20(16)27-3/h4-13,26H,1-3H3
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM98560
PNG
(US8492408, 7c)
Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1ccncc1F
Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)13-3-4-19-18(9-13)24-12-25(19)14-5-8-23-17(10-14)15-6-7-22-11-16(15)21/h3-12,26H,1-2H3
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 7.5n/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
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
UniChem
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
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM98559
PNG
(US8492408, 7b)
Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1cccnc1Cl
Show InChI InChI=1S/C20H17ClN4O/c1-20(2,26)13-5-6-18-17(10-13)24-12-25(18)14-7-9-22-16(11-14)15-4-3-8-23-19(15)21/h3-12,26H,1-2H3
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 38n/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
* indicates data uncertainty>20%