BDBM50269016 CHEMBL497001::aloin
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12
InChI Key: InChIKey=AFHJQYHRLPMKHU-CGISPIQUSA-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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P2Y purinoceptor 12 (Homo sapiens (Human)) | BDBM50269016 (CHEMBL497001 | aloin) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Displacement of [3H]PSB0413 from human platelet P2Y12 receptor | J Med Chem 52: 3784-93 (2009) Article DOI: 10.1021/jm9003297 BindingDB Entry DOI: 10.7270/Q2NK3FZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM50269016 (CHEMBL497001 | aloin) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 5.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University Curated by ChEMBL | Assay Description Mixed-type inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mins by... | Bioorg Med Chem 23: 6659-65 (2015) BindingDB Entry DOI: 10.7270/Q22F7Q8N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-lipoxygenase (Bos taurus) | BDBM50269016 (CHEMBL497001 | aloin) | PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität Münster Curated by ChEMBL | Assay Description 5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL) | J Med Chem 40: 3773-80 (1997) Article DOI: 10.1021/jm970292n BindingDB Entry DOI: 10.7270/Q20R9NJN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thioredoxin reductase 2, mitochondrial (Rattus norvegicus) | BDBM50269016 (CHEMBL497001 | aloin) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova Curated by ChEMBL | Assay Description Inhibition of rat liver mitochondrial TrxR2 by spectrophotometry | Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human)) | BDBM50269016 (CHEMBL497001 | aloin) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University Curated by ChEMBL | Assay Description Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ... | Bioorg Med Chem 23: 6659-65 (2015) BindingDB Entry DOI: 10.7270/Q22F7Q8N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus) | BDBM50269016 (CHEMBL497001 | aloin) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova Curated by ChEMBL | Assay Description Inhibition of rat liver cytosolic TrxR1 by spectrophotometry | Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N | |||||||||||
More data for this Ligand-Target Pair |