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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50214647   
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
Gamma-aminobutyric acid receptor subunit beta-3


(Homo sapiens (Human))
BDBM50214647
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-ethyl...)
Show SMILES CCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(12.11,-8.8,;11.08,-7.65,;11.56,-6.19,;13.03,-5.71,;14.27,-6.62,;13.03,-4.17,;11.56,-3.69,;10.66,-4.94,;9.12,-4.94,;8.36,-6.27,;9.14,-7.6,;6.83,-6.27,;6.05,-4.93,;6.82,-3.6,;8.36,-3.6,;9.13,-2.27,;4.51,-4.94,;2.96,-5,;4.47,-3.4,;4.56,-6.47,)|
Show InChI InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)18-19-20(10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
70.1n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50214647
PNG
(1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-ethyl...)
Show SMILES CCc1c(C)nnn1-c1c(Cl)cc(cc1Cl)C(F)(F)F |(12.11,-8.8,;11.08,-7.65,;11.56,-6.19,;13.03,-5.71,;14.27,-6.62,;13.03,-4.17,;11.56,-3.69,;10.66,-4.94,;9.12,-4.94,;8.36,-6.27,;9.14,-7.6,;6.83,-6.27,;6.05,-4.93,;6.82,-3.6,;8.36,-3.6,;9.13,-2.27,;4.51,-4.94,;2.96,-5,;4.47,-3.4,;4.56,-6.47,)|
Show InChI InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)18-19-20(10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>9.15E+3n/an/an/an/an/an/an/an/a



Shimane University

Curated by ChEMBL


Assay Description
Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 5090-104 (2007)


Article DOI: 10.1016/j.bmc.2007.05.039
BindingDB Entry DOI: 10.7270/Q2K64HS0
More data for this
Ligand-Target Pair