BDBM50179998 7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-[1,2,4]triazolo[4,3-b]pyridazine::CHEMBL373250

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

InChI Key InChIKey=BQDUNOMMYOKHEP-UHFFFAOYSA-N

Data  10 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50179998   

LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Affinity DataKi:  0.670nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 expressed in Ltk cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Affinity DataKi:  0.700nMAssay Description:Positive allosteric modulation of GABAA alpha3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
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 Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Affinity DataKi:  0.700nMAssay Description:Positive allosteric modulation of GABAA alpha2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
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 Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Affinity DataKi:  0.790nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 expressed in Ltk cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
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 Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Affinity DataKi:  2.30nMAssay Description:Positive allosteric modulation of GABAA alpha5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
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 Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Human)
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha5beta3gamma2 expressed in Ltk cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed