Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 354.4 BDBM50285637

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

Found 3 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))	BDBM50285637 ((R)-2-((R)-2-Benzyl-3-hydroxycarbamoyl-propionylam...) Show SMILES CSCC[C@@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H22N2O5S/c1-24-8-7-13(16(21)22)17-15(20)12(10-14(19)18-23)9-11-5-3-2-4-6-11/h2-6,12-13,23H,7-10H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Leukotriene A4 hydrolase				Bioorg Med Chem Lett 5: 2517-2522 (1995) Article DOI: 10.1016/0960-894X(95)00441-U BindingDB Entry DOI: 10.7270/Q2959J1M
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50285637 ((R)-2-((R)-2-Benzyl-3-hydroxycarbamoyl-propionylam...) Show SMILES CSCC[C@@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H22N2O5S/c1-24-8-7-13(16(21)22)17-15(20)12(10-14(19)18-23)9-11-5-3-2-4-6-11/h2-6,12-13,23H,7-10H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against rabbit lung angiotensin-converting enzyme(ACE)				Bioorg Med Chem Lett 5: 2517-2522 (1995) Article DOI: 10.1016/0960-894X(95)00441-U BindingDB Entry DOI: 10.7270/Q2959J1M
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50285637 ((R)-2-((R)-2-Benzyl-3-hydroxycarbamoyl-propionylam...) Show SMILES CSCC[C@@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H22N2O5S/c1-24-8-7-13(16(21)22)17-15(20)12(10-14(19)18-23)9-11-5-3-2-4-6-11/h2-6,12-13,23H,7-10H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against rabbit kidney neutral endopeptidase (NEP)				Bioorg Med Chem Lett 5: 2517-2522 (1995) Article DOI: 10.1016/0960-894X(95)00441-U BindingDB Entry DOI: 10.7270/Q2959J1M
					More data for this Ligand-Target Pair