BDBM50162235 6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl 2-pyridylmethyl ether::CHEMBL178942

SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1

InChI Key InChIKey=HRJQUDZTLASEPW-UHFFFAOYSA-N

Data  17 KI

  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 17 hits for monomerid = 50162235   

TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  1nMAssay 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 ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  1.20nMAssay Description:Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity to recombinant human GABA-A alpha5beta3gamma2 receptor expressed in L(tk) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  10nMAssay 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 ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  12nMAssay 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 ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  12nMAssay Description:Binding affinity to recombinant human GABA-A alpha3beta3gamma2 receptor expressed in L(tk) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
University Of Sussex

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  12nMAssay Description:Binding affinity to GABA-A alpha3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  13nMAssay Description:Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 subtype expressed in L (tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  22nMAssay 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 ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  26nMAssay 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 ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
University Of Sussex

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  26nMAssay Description:Binding affinity to GABA-A alpha2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  26nMAssay Description:Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric acid A receptor alpha2-beta3-gamma2 subtype expressed in L (tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  56nMAssay 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 ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
University Of Sussex

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  71nMAssay Description:Binding affinity to GABA-A alpha1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  71nMAssay Description:Binding affinity to recombinant human GABA-A alpha1beta3gamma2 receptor expressed in L(tk) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  71nMAssay 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 ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp Laboratory

Curated by ChEMBL
LigandPNGBDBM50162235(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Affinity DataKi:  71nMAssay Description:Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 subtype expressed in L (tk-) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed