BDBM50297376 3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-yl)benzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid::CHEMBL552567
SMILES: COc1ccc(nn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1
InChI Key: InChIKey=VSYWLXSRFUTNAH-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human)) | BDBM50297376 (3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... | J Med Chem 52: 5803-15 (2009) Article DOI: 10.1021/jm900945d BindingDB Entry DOI: 10.7270/Q2G44QB1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50297376 (3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | J Med Chem 52: 5803-15 (2009) Article DOI: 10.1021/jm900945d BindingDB Entry DOI: 10.7270/Q2G44QB1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50297376 (3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | J Med Chem 52: 5803-15 (2009) Article DOI: 10.1021/jm900945d BindingDB Entry DOI: 10.7270/Q2G44QB1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50297376 (3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | J Med Chem 52: 5803-15 (2009) Article DOI: 10.1021/jm900945d BindingDB Entry DOI: 10.7270/Q2G44QB1 | |||||||||||
More data for this Ligand-Target Pair |