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BDBM25879 3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaen-5-yl}carbonyloxy)propyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate::CHEMBL35571::XLi093, 2
SMILES: CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
InChI Key: InChIKey=JYRRJDFICVOODX-UHFFFAOYSA-N
Data: 17 KI
| 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)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-) cell membranes | J Med Chem 46: 5567-70 (2003) Article DOI: 10.1021/jm034164c BindingDB Entry DOI: 10.7270/Q2R78DNC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha1-beta3-gamma2 subunits expressed in L(tk-)cells | Bioorg Med Chem Lett 14: 1465-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.018 BindingDB Entry DOI: 10.7270/Q2W958M2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABAA Receptor, alpha-5, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee | Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... | Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 858 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-)cells | Bioorg Med Chem Lett 14: 1465-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.018 BindingDB Entry DOI: 10.7270/Q2W958M2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABAA Receptor, alpha-3, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 858 | -7.69 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
University of Wisconsin-Milwaukee | Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... | Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha6-beta3-gamma2 subunits expressed in L(tk-)cells | Bioorg Med Chem Lett 14: 1465-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.018 BindingDB Entry DOI: 10.7270/Q2W958M2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABAA Receptor, alpha-1, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | >-7.60 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
University of Wisconsin-Milwaukee | Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... | Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABAA Receptor, alpha-2, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | >-7.60 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
University of Wisconsin-Milwaukee | Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... | Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-)cells | Bioorg Med Chem Lett 14: 1465-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.018 BindingDB Entry DOI: 10.7270/Q2W958M2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cell membranes | J Med Chem 46: 5567-70 (2003) Article DOI: 10.1021/jm034164c BindingDB Entry DOI: 10.7270/Q2R78DNC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro binding affinity for human GABA-A receptor alpha1-beta3-gamma2 subunits expressed in L(tk-) cell membranes | J Med Chem 46: 5567-70 (2003) Article DOI: 10.1021/jm034164c BindingDB Entry DOI: 10.7270/Q2R78DNC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-4/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits expressed in L(tk-) cell membranes | J Med Chem 46: 5567-70 (2003) Article DOI: 10.1021/jm034164c BindingDB Entry DOI: 10.7270/Q2R78DNC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABAA Receptor, alpha-4, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee | Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... | Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-4/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-)cells | Bioorg Med Chem Lett 14: 1465-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.018 BindingDB Entry DOI: 10.7270/Q2W958M2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha4-beta3-gamma2 subunits expressed in L(tk-)cells | Bioorg Med Chem Lett 14: 1465-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.018 BindingDB Entry DOI: 10.7270/Q2W958M2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABAA Receptor, alpha-6, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee | Assay Description The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o... | Bioorg Med Chem 16: 8853-62 (2008) Article DOI: 10.1016/j.bmc.2008.08.072 BindingDB Entry DOI: 10.7270/Q2GX48WR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA receptor alpha-6/beta-3/gamma-2 subunit (Homo sapiens (Human)) | BDBM25879 (3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Milwaukee Curated by ChEMBL | Assay Description In vitro binding affinity for human GABA-A receptor alpha6-beta3-gamma2 subunits expressed in L(tk-) cell membranes | J Med Chem 46: 5567-70 (2003) Article DOI: 10.1021/jm034164c BindingDB Entry DOI: 10.7270/Q2R78DNC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
