Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 409.6 BDBM50272144

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))	BDBM50272144 ((2S,5S)-5-(3-(4-isopropylphenyl)propylthio)-1-((S)...) Show SMILES CC(C)c1ccc(CCCS[C@H]2CC[C@H](N2C(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H31NO3S2/c1-14(2)17-8-6-16(7-9-17)5-4-12-27-19-11-10-18(21(24)25)22(19)20(23)15(3)13-26/h6-9,14-15,18-19,26H,4-5,10-13H2,1-3H3,(H,24,25)/t15-,18+,19+/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	15	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)	BDBM50272144 ((2S,5S)-5-(3-(4-isopropylphenyl)propylthio)-1-((S)...) Show SMILES CC(C)c1ccc(CCCS[C@H]2CC[C@H](N2C(=O)[C@H](C)CS)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H31NO3S2/c1-14(2)17-8-6-16(7-9-17)5-4-12-27-19-11-10-18(21(24)25)22(19)20(23)15(3)13-26/h6-9,14-15,18-19,26H,4-5,10-13H2,1-3H3,(H,24,25)/t15-,18+,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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