Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 333.3 BDBM50035244

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
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50035244 (2-(2-Hydroxyaminomethyl-3-methyl-butyrylamino)-3-(...) Show SMILES CC(C)C(CNO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C17H23N3O4/c1-10(2)13(9-19-24)16(21)20-15(17(22)23)7-11-8-18-14-6-4-3-5-12(11)14/h3-6,8,10,13,15,18-19,24H,7,9H2,1-2H3,(H,20,21)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1				J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50035244 (2-(2-Hydroxyaminomethyl-3-methyl-butyrylamino)-3-(...) Show SMILES CC(C)C(CNO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C17H23N3O4/c1-10(2)13(9-19-24)16(21)20-15(17(22)23)7-11-8-18-14-6-4-3-5-12(11)14/h3-6,8,10,13,15,18-19,24H,7,9H2,1-2H3,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Leu-enkeph of Neutral endopeptidase				J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50035244 (2-(2-Hydroxyaminomethyl-3-methyl-butyrylamino)-3-(...) Show SMILES CC(C)C(CNO)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C17H23N3O4/c1-10(2)13(9-19-24)16(21)20-15(17(22)23)7-11-8-18-14-6-4-3-5-12(11)14/h3-6,8,10,13,15,18-19,24H,7,9H2,1-2H3,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against big ET-1 of Neutral endopeptidase				J Med Chem 38: 2119-29 (1995) BindingDB Entry DOI: 10.7270/Q2D79C2M
					More data for this Ligand-Target Pair