Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.3 BDBM50266136

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 (Cavia porcellus)	BDBM50266136 ((R)-3-(4-iodobenzylthio)-2-((S)-3-mercapto-2-methy...) Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(I)cc1)C(O)=O |r| Show InChI InChI=1S/C14H18INO3S2/c1-9(6-20)13(17)16-12(14(18)19)8-21-7-10-2-4-11(15)5-3-10/h2-5,9,12,20H,6-8H2,1H3,(H,16,17)(H,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50266136 ((R)-3-(4-iodobenzylthio)-2-((S)-3-mercapto-2-methy...) Show SMILES C[C@H](CS)C(=O)N[C@@H](CSCc1ccc(I)cc1)C(O)=O |r| Show InChI InChI=1S/C14H18INO3S2/c1-9(6-20)13(17)16-12(14(18)19)8-21-7-10-2-4-11(15)5-3-10/h2-5,9,12,20H,6-8H2,1H3,(H,16,17)(H,18,19)/t9-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of angiotensin-converting enzyme (unknown origin) in whole blood by HPLC				Bioorg Med Chem Lett 19: 442-6 (2008) Article DOI: 10.1016/j.bmcl.2008.11.042 BindingDB Entry DOI: 10.7270/Q20K28FC
					More data for this Ligand-Target Pair