BDBM50211485 2-(2-methoxy-phenyl)-N-(3,5a,10-trimethyl-2-oxo-2,3,3a,4,5,5a,6,10,10a,10b-decahydro-1-oxa-7-thia-9-aza-dicyclopenta[a,g]naphthalen-8-yl)-acetamide::CHEMBL389289

SMILES: COc1ccccc1CC(=O)Nc1nc2C(C)C3C4OC(=O)C(C)C4CCC3(C)Cc2s1

InChI Key: InChIKey=OYLCCQPMKOSHSI-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 = 50211485   

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 5-lipoxygenase (Homo sapiens (Human))	BDBM50211485 (2-(2-methoxy-phenyl)-N-(3,5a,10-trimethyl-2-oxo-2,...) Show SMILES COc1ccccc1CC(=O)Nc1nc2C(C)C3C4OC(=O)C(C)C4CCC3(C)Cc2s1 |w:18.19,15.16,27.30,17.29,22.23,24.26| Show InChI InChI=1S/C25H30N2O4S/c1-13-16-9-10-25(3)12-18-21(14(2)20(25)22(16)31-23(13)29)27-24(32-18)26-19(28)11-15-7-5-6-8-17(15)30-4/h5-8,13-14,16,20,22H,9-12H2,1-4H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-Universität Curated by ChEMBL					Assay Description Inhibition of 5-LO activity in ionophore A23187 and arachidonic-stimulated human intact PMNL				J Med Chem 50: 2640-6 (2007) Article DOI: 10.1021/jm060655w BindingDB Entry DOI: 10.7270/Q21N80T8
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50211485 (2-(2-methoxy-phenyl)-N-(3,5a,10-trimethyl-2-oxo-2,...) Show SMILES COc1ccccc1CC(=O)Nc1nc2C(C)C3C4OC(=O)C(C)C4CCC3(C)Cc2s1 |w:18.19,15.16,27.30,17.29,22.23,24.26| Show InChI InChI=1S/C25H30N2O4S/c1-13-16-9-10-25(3)12-18-21(14(2)20(25)22(16)31-23(13)29)27-24(32-18)26-19(28)11-15-7-5-6-8-17(15)30-4/h5-8,13-14,16,20,22H,9-12H2,1-4H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-Universität Curated by ChEMBL					Assay Description Inhibition of partially purified human 5-LO expressed in Escherichia coli				J Med Chem 50: 2640-6 (2007) Article DOI: 10.1021/jm060655w BindingDB Entry DOI: 10.7270/Q21N80T8
					More data for this Ligand-Target Pair