BDBM50071685 (1R,3S,4S)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-butyl]-4-phenyl-piperidine-3-carboxylic acid ethyl ester::CHEMBL82267
SMILES: CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
InChI Key: InChIKey=IPBOROXXRHATRV-IFMALSPDSA-N
Data: 3 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 (Homo sapiens (Human)) | BDBM50071685 ((1R,3S,4S)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Curated by ChEMBL | Assay Description Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay | Bioorg Med Chem Lett 8: 2495-500 (1999) BindingDB Entry DOI: 10.7270/Q2J38T2G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50071685 ((1R,3S,4S)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Curated by ChEMBL | Assay Description Binding affinity against human Alpha-1b adrenergic receptor was evaluated by cloned receptor binding assay | Bioorg Med Chem Lett 8: 2495-500 (1999) BindingDB Entry DOI: 10.7270/Q2J38T2G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50071685 ((1R,3S,4S)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Curated by ChEMBL | Assay Description Binding affinity against human Alpha-1d adrenergic receptor was evaluated by cloned receptor binding assay | Bioorg Med Chem Lett 8: 2495-500 (1999) BindingDB Entry DOI: 10.7270/Q2J38T2G | |||||||||||
More data for this Ligand-Target Pair |