Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 287.4 BDBM50085299

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085299 (1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrol...) Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccsc2)cc1 Show InChI InChI=1S/C17H21NOS/c1-2-9-18(8-1)10-11-19-17-5-3-15(4-6-17)13-16-7-12-20-14-16/h3-7,12,14H,1-2,8-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined against Leukotriene A4 hydrolase				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50085299 (1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrol...) Show SMILES C(CN1CCCC1)Oc1ccc(Cc2ccsc2)cc1 Show InChI InChI=1S/C17H21NOS/c1-2-9-18(8-1)10-11-19-17-5-3-15(4-6-17)13-16-7-12-20-14-16/h3-7,12,14H,1-2,8-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity was determined for LTB4 production in human whole blood.				J Med Chem 43: 721-35 (2000) BindingDB Entry DOI: 10.7270/Q2CN74MZ
					More data for this Ligand-Target Pair