BDBM50447213 CHEMBL3113180

SMILES: COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc3ccccc3c2)c1O

InChI Key: InChIKey=SKRVAOJKHGQPBH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50447213   

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))	BDBM50447213 (CHEMBL3113180) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc3ccccc3c2)c1O Show InChI InChI=1S/C24H22N2O4S/c1-30-23-8-4-7-19(24(23)27)16-25-20-11-13-22(14-12-20)31(28,29)26-21-10-9-17-5-2-3-6-18(17)15-21/h2-15,25-27H,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis				J Med Chem 57: 495-506 (2014) Article DOI: 10.1021/jm4016476 BindingDB Entry DOI: 10.7270/Q27082XR
					More data for this Ligand-Target Pair