Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 395.5 BDBM50272201

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)	BDBM50272201 ((2S,5S)-5-(4-tert-butylbenzylthio)-1-((S)-3-mercap...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H29NO3S2/c1-13(11-25)18(22)21-16(19(23)24)9-10-17(21)26-12-14-5-7-15(8-6-14)20(2,3)4/h5-8,13,16-17,25H,9-12H2,1-4H3,(H,23,24)/t13-,16+,17+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of guinea pig lung leukotriene A4 hydrolase				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272201 ((2S,5S)-5-(4-tert-butylbenzylthio)-1-((S)-3-mercap...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H29NO3S2/c1-13(11-25)18(22)21-16(19(23)24)9-10-17(21)26-12-14-5-7-15(8-6-14)20(2,3)4/h5-8,13,16-17,25H,9-12H2,1-4H3,(H,23,24)/t13-,16+,17+/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	410	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair