BDBM50068107 CHEMBL3402237

SMILES: OCCCc1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=FZALPKMIIYFLAP-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50068107   

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
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50068107 (CHEMBL3402237) Show SMILES OCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged full-length human soluble epoxide hydrolase expressed in Escherichia coli BL21(DE3) cells pre-incubated for 15 m...				Bioorg Med Chem 23: 2310-7 (2015) Article DOI: 10.1016/j.bmc.2015.03.083 BindingDB Entry DOI: 10.7270/Q2DV1MKD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50068107 (CHEMBL3402237) Show SMILES OCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells using 7-amido-4-methylcoumarin as substrate...				ACS Med Chem Lett 11: 1244-1249 (2020)
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50068107 (CHEMBL3402237) Show SMILES OCCCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H18O2/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated with enzyme for 10 mins prior to substrate addition by fluorescence based a...				ACS Med Chem Lett 11: 1244-1249 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)