BDBM50146089 1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-1-yl]-propyl}-2,4-dioxo-1,3,6,7,8,9-hexahydropyrimido[2,1-f]purine::8-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-1,3-dimethyl-5,6,7,8-tetrahydro-1H-1,3,4b,8,9-pentaaza-fluorene-2,4-dione::CHEMBL328292
SMILES: COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
InChI Key: InChIKey=OZAXJINUJRJQJM-UHFFFAOYSA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50146089 (1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting | Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50146089 (1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to 5-HT1A (unknown origin) | Citation and Details Article DOI: 10.1007/s00044-011-9555-y BindingDB Entry DOI: 10.7270/Q2ZS30F6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50146089 (1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 17.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Collegium Medicum of the Jagiellonian University Curated by ChEMBL | Assay Description Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]-8-OH-DPAT radioligand | J Med Chem 47: 2659-66 (2004) Article DOI: 10.1021/jm030946u BindingDB Entry DOI: 10.7270/Q2XG9QKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50146089 (1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 486 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to 5-HT2A (unknown origin) | Citation and Details Article DOI: 10.1007/s00044-011-9555-y BindingDB Entry DOI: 10.7270/Q2ZS30F6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50146089 (1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 486 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College Curated by ChEMBL | Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting | Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50146089 (1,3-dimethyl-9-{3-[4-(2'-methoxyphenyl)-piperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Collegium Medicum of the Jagiellonian University Curated by ChEMBL | Assay Description Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]-ketanserin radioligand | J Med Chem 47: 2659-66 (2004) Article DOI: 10.1021/jm030946u BindingDB Entry DOI: 10.7270/Q2XG9QKJ | |||||||||||
More data for this Ligand-Target Pair |