BDBM50344893 CHEMBL1780186::ethyl 2-(4-(3-(biphenyl-4-yloxy)propoxy)phenylthio)hexanoate

SMILES: CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(=O)OCC

InChI Key: InChIKey=AAMWMZKKZMJUOK-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 = 50344893   

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))	BDBM50344893 (CHEMBL1780186 | ethyl 2-(4-(3-(biphenyl-4-yloxy)pr...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C29H34O4S/c1-3-5-12-28(29(30)31-4-2)34-27-19-17-26(18-20-27)33-22-9-21-32-25-15-13-24(14-16-25)23-10-7-6-8-11-23/h6-8,10-11,13-20,28H,3-5,9,12,21-22H2,1-2H3	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
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50344893 (CHEMBL1780186 | ethyl 2-(4-(3-(biphenyl-4-yloxy)pr...) Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C29H34O4S/c1-3-5-12-28(29(30)31-4-2)34-27-19-17-26(18-20-27)33-22-9-21-32-25-15-13-24(14-16-25)23-10-7-6-8-11-23/h6-8,10-11,13-20,28H,3-5,9,12,21-22H2,1-2H3	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
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair