BDBM50041168 3-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridin-2-ylmethoxy)-4,5-dihydro-1H-thiopyrano[2,3,4-cd]indol-2-yl]-ethoxy}-propionic acid::CHEMBL16244
SMILES: CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CCOCCC(O)=O)c(S1)c23
InChI Key: InChIKey=ANAOOXHMVINFDW-UHFFFAOYSA-N
Data: 1 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 |
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Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50041168![]() (3-{2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description In vitro inhibition of human 5-Lipoxygenase. | J Med Chem 37: 1153-64 (1994) BindingDB Entry DOI: 10.7270/Q2PV6JF5 | |||||||||||
More data for this Ligand-Target Pair |