BDBM50150794 CHEMBL186752::N-[2-(3-Bromo-4-hydroxy-phenyl)-ethyl]-3-[3,5-dibromo-4-(3-bromo-5-{2-[2-((E)-3-bromo-4-hydroxy-phenyl)-vinylcarbamoyl]-2-hydroxyimino-ethyl}-2-hydroxy-phenoxy)-phenyl]-2-[(E)-hydroxyimino]-propionamide
SMILES: Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(Oc3cc(CC(N=O)C(=O)NC=Cc4ccc(O)c(Br)c4)cc(Br)c3O)c(Br)c2)N=O)cc1Br
InChI Key: InChIKey=QMOFHQMRJLEXNM-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
12-Lipoxygenase (12-LOX) (Homo sapiens (Human)) | BDBM50150794 (CHEMBL186752 | N-[2-(3-Bromo-4-hydroxy-phenyl)-eth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibitory effect on human platelet 12-lipoxygenase | J Med Chem 47: 4060-5 (2004) Article DOI: 10.1021/jm049872s BindingDB Entry DOI: 10.7270/Q2SX6CPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 15-lipoxygenase (Homo sapiens (Human)) | BDBM50150794 (CHEMBL186752 | N-[2-(3-Bromo-4-hydroxy-phenyl)-eth...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibitory effect on human reticulocyte 15-lipoxygenase | J Med Chem 47: 4060-5 (2004) Article DOI: 10.1021/jm049872s BindingDB Entry DOI: 10.7270/Q2SX6CPV | |||||||||||
More data for this Ligand-Target Pair |