BDBM50447207 CHEMBL3113187::US10752581, Compound 57

SMILES: COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc(C)nc2)c1O

InChI Key: InChIKey=AYIYTTKZCABTEC-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 = 50447207   

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
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM50447207 (CHEMBL3113187 | US10752581, Compound 57) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc(C)nc2)c1O Show InChI InChI=1S/C20H21N3O4S/c1-14-6-7-17(13-21-14)23-28(25,26)18-10-8-16(9-11-18)22-12-15-4-3-5-19(27-2)20(15)24/h3-11,13,22-24H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University US Patent					Assay Description UV-vis cuvette-based assay.				US Patent US10752581 (2020)
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM50447207 (CHEMBL3113187 | US10752581, Compound 57) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc(C)nc2)c1O Show InChI InChI=1S/C20H21N3O4S/c1-14-6-7-17(13-21-14)23-28(25,26)18-10-8-16(9-11-18)22-12-15-4-3-5-19(27-2)20(15)24/h3-11,13,22-24H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	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