null

SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F

InChI Key InChIKey=QKIWQBLNTSQOLY-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50176771   

TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176771(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WH2PJ2PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50176771(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21R6RBCPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50176771(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)copy SMILEScopy InChI
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha1 in combination with beta-3-gamma-2 expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21R6RBCPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50176771(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)copy SMILEScopy InChI
Affinity DataKi:  0.270nMAssay Description:Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WH2PJ2PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50176771(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)copy SMILEScopy InChI
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha2 in combination with beta3gamma2 expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21R6RBCPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176771(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)copy SMILEScopy InChI
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]Ro-151788 from human recombinant GABAA alpha3 in combination with beta3gamma2 expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21R6RBCPubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50176771(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)copy SMILEScopy InChI
Affinity DataKi:  0.310nMAssay Description:Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WH2PJ2PubMed