BDBM50447184 CHEMBL3113169::US10752581, Compound 39

SMILES: COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O

InChI Key: InChIKey=IIGLEVXEJLIJQV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50447184   

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
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50447184 (CHEMBL3113169 | US10752581, Compound 39) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)	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	690	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 reticulocyte 15-LOX1 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
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50447184 (CHEMBL3113169 | US10752581, Compound 39) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	690	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
Arachidonate 12-lipoxygenase (Homo sapiens (Human))	BDBM50447184 (CHEMBL3113169 | US10752581, Compound 39) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	240	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
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50447184 (CHEMBL3113169 | US10752581, Compound 39) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	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