BDBM25880 5-({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)pentyl 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::XLi210, 3
SMILES: CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
InChI Key: InChIKey=ILFYWHUZKNCDEU-UHFFFAOYSA-N
Data: 5 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 |
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GABAA Receptor, alpha-5, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25880 (5-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.40 | 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 | |||||||||||||
GABAA Receptor, alpha-6, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25880 (5-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 54.2 | 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 | |||||||||||||
GABAA Receptor, alpha-1, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25880 (5-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 231 | -8.41 | 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)) | BDBM25880 (5-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 661 | -7.83 | 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-3, beta-3, gamma-2 (Homo sapiens (Human)) | BDBM25880 (5-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...) | PDB KEGG DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.67E+3 | -7.06 | 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 |