BDBM50211492 CHEMBL227139::cyclopentanecarboxylic acid (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)-amide

SMILES: CC1C2CCC3(C)Cc4sc(NC(=O)C5CCCC5)nc4C(C)C3C2OC1=O

InChI Key: InChIKey=ZNSKOGGQUHKREZ-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 = 50211492   

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))	BDBM50211492 (CHEMBL227139 | cyclopentanecarboxylic acid (3,5a,1...) Show SMILES CC1C2CCC3(C)Cc4sc(NC(=O)C5CCCC5)nc4C(C)C3C2OC1=O |w:23.24,24.28,21.23,5.5,1.0,2.2| Show InChI InChI=1S/C22H30N2O3S/c1-11-14-8-9-22(3)10-15-17(12(2)16(22)18(14)27-20(11)26)23-21(28-15)24-19(25)13-6-4-5-7-13/h11-14,16,18H,4-10H2,1-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG 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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50211492 (CHEMBL227139 | cyclopentanecarboxylic acid (3,5a,1...) Show SMILES CC1C2CCC3(C)Cc4sc(NC(=O)C5CCCC5)nc4C(C)C3C2OC1=O |w:23.24,24.28,21.23,5.5,1.0,2.2| Show InChI InChI=1S/C22H30N2O3S/c1-11-14-8-9-22(3)10-15-17(12(2)16(22)18(14)27-20(11)26)23-21(28-15)24-19(25)13-6-4-5-7-13/h11-14,16,18H,4-10H2,1-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+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