BDBM50144861 3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine::5-methyl-3-(6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)isoxazole::CHEMBL68684
SMILES: Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
InChI Key: InChIKey=YTGZSWOWFGVAFH-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes | J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes | J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes | J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Displacement of [3H]flumazenil from GABAAalpha1beta3gamma2 receptor | Bioorg Med Chem Lett 19: 5958-61 (2009) Article DOI: 10.1016/j.bmcl.2009.08.027 BindingDB Entry DOI: 10.7270/Q2R78FBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor | Bioorg Med Chem Lett 19: 5958-61 (2009) Article DOI: 10.1016/j.bmcl.2009.08.027 BindingDB Entry DOI: 10.7270/Q2R78FBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes | J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Displacement of [3H]flumazenil from GABAAalpha2beta3gamma2 receptor | Bioorg Med Chem Lett 19: 5958-61 (2009) Article DOI: 10.1016/j.bmcl.2009.08.027 BindingDB Entry DOI: 10.7270/Q2R78FBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Displacement of [3H]flumazenil from GABAAalpha3beta3gamma2 receptor | Bioorg Med Chem Lett 19: 5958-61 (2009) Article DOI: 10.1016/j.bmcl.2009.08.027 BindingDB Entry DOI: 10.7270/Q2R78FBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-4/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [3H]-Ro-15-1788 binding to human alpha4-beta3-gamma2 GABA-A receptor expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [3H]-Ro-15-1788 binding to human alpha6-beta3-gamma2 GABA-A receptor expressed in L(tk-) cells | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Effective concentration against human Alpha5-beta3-gamma2 GABA-A receptor was determined | J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423 | |||||||||||
More data for this Ligand-Target Pair |