Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.4 BDBM50285630

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))	BDBM50285630 ((S)-2-((R)-2-Benzyl-3-hydroxycarbamoyl-propionylam...) Show SMILES ONC(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(O)=O Show InChI InChI=1S/C20H28N2O5/c23-18(22-27)13-16(11-14-7-3-1-4-8-14)19(24)21-17(20(25)26)12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17,27H,2,5-6,9-13H2,(H,21,24)(H,22,23)(H,25,26)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	10	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)	BDBM50285630 ((S)-2-((R)-2-Benzyl-3-hydroxycarbamoyl-propionylam...) Show SMILES ONC(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(O)=O Show InChI InChI=1S/C20H28N2O5/c23-18(22-27)13-16(11-14-7-3-1-4-8-14)19(24)21-17(20(25)26)12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17,27H,2,5-6,9-13H2,(H,21,24)(H,22,23)(H,25,26)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	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))	BDBM50285630 ((S)-2-((R)-2-Benzyl-3-hydroxycarbamoyl-propionylam...) Show SMILES ONC(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(O)=O Show InChI InChI=1S/C20H28N2O5/c23-18(22-27)13-16(11-14-7-3-1-4-8-14)19(24)21-17(20(25)26)12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17,27H,2,5-6,9-13H2,(H,21,24)(H,22,23)(H,25,26)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.04E+5	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