Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.5 BDBM50272141

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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272141 ((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(na...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H23NO3S2/c1-13(11-25)19(22)21-17(20(23)24)8-9-18(21)26-12-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,13,17-18,25H,8-9,11-12H2,1H3,(H,23,24)/t13-,17+,18+/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	4.20	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
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50272141 ((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(na...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H23NO3S2/c1-13(11-25)19(22)21-17(20(23)24)8-9-18(21)26-12-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,13,17-18,25H,8-9,11-12H2,1H3,(H,23,24)/t13-,17+,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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