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BDBM50179997 2-fluoro-3-(7-trifluoromethylimidazo[1,2-a]pyrimidin-3-yl)biphenyl-2-carbonitrile::CHEMBL199690

SMILES: Fc1c(cccc1-c1ccccc1C#N)-c1cnc2nc(ccn12)C(F)(F)F

InChI Key: InChIKey=GXKGSEUULCEOTM-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50179997   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179997
PNG
(2-fluoro-3-(7-trifluoromethylimidazo[1,2-a]pyrimid...)
Show SMILES Fc1c(cccc1-c1ccccc1C#N)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.940n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179997
PNG
(2-fluoro-3-(7-trifluoromethylimidazo[1,2-a]pyrimid...)
Show SMILES Fc1c(cccc1-c1ccccc1C#N)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha3 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179997
PNG
(2-fluoro-3-(7-trifluoromethylimidazo[1,2-a]pyrimid...)
Show SMILES Fc1c(cccc1-c1ccccc1C#N)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H10F4N4/c21-18-14(13-5-2-1-4-12(13)10-25)6-3-7-15(18)16-11-26-19-27-17(20(22,23)24)8-9-28(16)19/h1-9,11H
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha1 in combination with beta-3-gamma-2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair