BDBM50006952 2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione::3-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione::3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrimido[5,4-b]indole-2,4-dione::CHEMBL301707
SMILES: COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
InChI Key: InChIKey=AQASGOHUMGAWJJ-UHFFFAOYSA-N
Data: 15 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Catania Curated by ChEMBL | Assay Description Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes | J Med Chem 34: 1850-4 (1991) BindingDB Entry DOI: 10.7270/Q25B01FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia Curated by ChEMBL | Assay Description Alpha-1-adrenergic receptor binding affinity of the compound, value taken from literature | J Med Chem 44: 2118-32 (2001) Article DOI: 10.1021/jm010821u BindingDB Entry DOI: 10.7270/Q2W3802N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.269 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cells | Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.269 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Binding affinity to adrenergic alpha1A receptor | Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Displacement of [125I]BE2254 from human cloned adrenergic alpha 1A receptor expressed in HEK293 cells | Bioorg Med Chem Lett 16: 6200-3 (2006) Article DOI: 10.1016/j.bmcl.2006.09.034 BindingDB Entry DOI: 10.7270/Q2GT5QZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Binding affinity to adrenergic Alpha-1D receptor | Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells | Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cells | Bioorg Med Chem Lett 16: 6200-3 (2006) Article DOI: 10.1016/j.bmcl.2006.09.034 BindingDB Entry DOI: 10.7270/Q2GT5QZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Displacement of [125I]BE2254 from human cloned adrenergic alpha 1B receptor expressed in HEK293 cells | Bioorg Med Chem Lett 16: 6200-3 (2006) Article DOI: 10.1016/j.bmcl.2006.09.034 BindingDB Entry DOI: 10.7270/Q2GT5QZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Binding affinity to adrenergic Alpha-1B receptor | Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania Curated by ChEMBL | Assay Description Displacement of [125I]BE-2254 from human adrenergic Alpha-1B receptor expressed in HEK293 cells | Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Catania Curated by ChEMBL | Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry | Bioorg Med Chem 19: 5260-76 (2011) Article DOI: 10.1016/j.bmc.2011.06.043 BindingDB Entry DOI: 10.7270/Q2D50NBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Catania Curated by ChEMBL | Assay Description Inhibtion of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus | J Med Chem 48: 2420-31 (2005) Article DOI: 10.1021/jm040870h BindingDB Entry DOI: 10.7270/Q2377872 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Catania Curated by ChEMBL | Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes | J Med Chem 34: 1850-4 (1991) BindingDB Entry DOI: 10.7270/Q25B01FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50006952 (2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Catania Curated by ChEMBL | Assay Description Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol | J Med Chem 34: 1850-4 (1991) BindingDB Entry DOI: 10.7270/Q25B01FV | |||||||||||
More data for this Ligand-Target Pair |