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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50150794   

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...) Show 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 |w:29.29| Show InChI InChI=1S/C34H27Br5N4O8/c35-21-9-17(1-3-28(21)44)5-7-40-33(47)26(42-49)14-19-12-24(38)32(25(39)13-19)51-30-16-20(11-23(37)31(30)46)15-27(43-50)34(48)41-8-6-18-2-4-29(45)22(36)10-18/h1-4,6,8-13,16,26-27,44-46H,5,7,14-15H2,(H,40,47)(H,41,48)	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...) Show 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 |w:29.29| Show InChI InChI=1S/C34H27Br5N4O8/c35-21-9-17(1-3-28(21)44)5-7-40-33(47)26(42-49)14-19-12-24(38)32(25(39)13-19)51-30-16-20(11-23(37)31(30)46)15-27(43-50)34(48)41-8-6-18-2-4-29(45)22(36)10-18/h1-4,6,8-13,16,26-27,44-46H,5,7,14-15H2,(H,40,47)(H,41,48)	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