BDBM25875 8-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione::CHEMBL299638::buspirone analogue, 6
SMILES: O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccc2ccccc2n1
InChI Key: InChIKey=TWQHGBJNKVFWIU-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 |
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5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM25875 (8-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-aza...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory affinity constant against 5-hydroxytryptamine 1A receptor | J Med Chem 38: 1701-10 (1995) BindingDB Entry DOI: 10.7270/Q2TH8KQQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM25875 (8-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-aza...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Medicines Institute Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins | Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM25875 (8-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-aza...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
National Medicines Institute Curated by ChEMBL | Assay Description Displacement of [3H]-Citalopram from SERT in rat cerebral cortex homogenates after 1 hr by liquid scintillation counter | Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM25875 (8-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-aza...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 112 | n/a | n/a | n/a | n/a | 7.7 | 22 |
National Medicines Institute | Assay Description Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by ... | Bioorg Med Chem 16: 9283-94 (2008) Article DOI: 10.1016/j.bmc.2008.09.005 BindingDB Entry DOI: 10.7270/Q2MP51K1 | |||||||||||
More data for this Ligand-Target Pair |