BDBM50143687 4-Chloro-2-{4-[2-(7,9-dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl]-piperazin-1-yl}-benzonitrile::CHEMBL57868
SMILES: Clc1ccc(C#N)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChI Key: InChIKey=GUJILKGAXBCELS-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 |
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Alpha-1D adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50143687 (4-Chloro-2-{4-[2-(7,9-dioxo-8-aza-spiro[4.5]dec-8-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Recordati s.p.a. Curated by ChEMBL | Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta | J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50143687 (4-Chloro-2-{4-[2-(7,9-dioxo-8-aza-spiro[4.5]dec-8-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 17.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Recordati s.p.a. Curated by ChEMBL | Assay Description Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spleen | J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50143687 (4-Chloro-2-{4-[2-(7,9-dioxo-8-aza-spiro[4.5]dec-8-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 29.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Recordati s.p.a. Curated by ChEMBL | Assay Description Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli... | J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50143687 (4-Chloro-2-{4-[2-(7,9-dioxo-8-aza-spiro[4.5]dec-8-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 403 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to adrenergic alpha1A receptor (unknown origin) | Citation and Details Article DOI: 10.1007/s00044-010-9379-1 BindingDB Entry DOI: 10.7270/Q2NG4THH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50143687 (4-Chloro-2-{4-[2-(7,9-dioxo-8-aza-spiro[4.5]dec-8-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to adrenergic alpha1A receptor (unknown origin) | Citation and Details Article DOI: 10.1007/s00044-010-9379-1 BindingDB Entry DOI: 10.7270/Q2NG4THH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50143687 (4-Chloro-2-{4-[2-(7,9-dioxo-8-aza-spiro[4.5]dec-8-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 503 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Recordati s.p.a. Curated by ChEMBL | Assay Description In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]-prazosin in epididymal rat vas deferens. | J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35 | |||||||||||
More data for this Ligand-Target Pair |