BDBM50009071 6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-pentyloxy]-chroman-2-carboxylic acid::6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-pentyloxy]-chroman-2-carboxylic acid(Ro 23-3544)::Ablukast::CHEMBL22016::Ro-23-3544
SMILES: CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O
InChI Key: InChIKey=FGGYJWZYDAROFF-UHFFFAOYSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cysteinyl leukotriene receptor 1 (GUINEA PIG) | BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals Group Curated by ChEMBL | Assay Description Compound was evaluated for its ability to displace [3H]-LTD4 from LTD4 receptor in guinea pig lung membranes | J Med Chem 34: 1235-42 (1991) BindingDB Entry DOI: 10.7270/Q2K936HB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor 1 (GUINEA PIG) | BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibitory activity of compound to block binding of [3H]-leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung | J Med Chem 32: 1842-60 (1989) BindingDB Entry DOI: 10.7270/Q28W3C8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cysteinyl leukotriene receptor (Homo sapiens (Human)) | BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Compound was tested for inhibitory activity against LTD4 (leukotriene). | J Med Chem 39: 2629-54 (1996) Article DOI: 10.1021/jm960088k BindingDB Entry DOI: 10.7270/Q21J9BFT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphodiesterase 1 (BOVINE) | BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of bovine heart Phosphodiesterase 1A | J Med Chem 32: 1842-60 (1989) BindingDB Entry DOI: 10.7270/Q28W3C8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human)) | BDBM50009071 (6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat | J Med Chem 32: 1842-60 (1989) BindingDB Entry DOI: 10.7270/Q28W3C8B | |||||||||||
More data for this Ligand-Target Pair |