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SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F

InChI Key InChIKey=BQDUNOMMYOKHEP-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 10 hits for monomerid = 50179998   

TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  0.670nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 expressed in Ltk cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VD72WNPubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  0.700nMAssay 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))
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  0.700nMAssay 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
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  0.700nMAssay Description:Positive allosteric modulation of GABAA alpha3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B61GZPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  0.700nMAssay Description:Positive allosteric modulation of GABAA alpha2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B61GZPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  0.790nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 expressed in Ltk cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VD72WNPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  0.800nMAssay 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
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha5beta3gamma2 expressed in Ltk cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VD72WNPubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University of Sussex

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  2.30nMAssay 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-5(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)copy SMILEScopy InChI
Affinity DataKi:  2.30nMAssay Description:Positive allosteric modulation of GABAA alpha5 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B61GZPubMed