Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.4 BDBM50085457

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 (Oryctolagus cuniculus)	BDBM50085457 (CHEMBL89533 | {(S)-6-[(R)-2-Benzyl-3-(formyl-hydro...) Show SMILES CC1(C)CCC[C@H](NC(=O)[C@@H](CN(O)C=O)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C21H29N3O6/c1-21(2)10-6-9-17(20(29)24(21)13-18(26)27)22-19(28)16(12-23(30)14-25)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,30H,6,9-13H2,1-2H3,(H,22,28)(H,26,27)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 10: 257-60 (2000) BindingDB Entry DOI: 10.7270/Q2BK1BJ8
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50085457 (CHEMBL89533 | {(S)-6-[(R)-2-Benzyl-3-(formyl-hydro...) Show SMILES CC1(C)CCC[C@H](NC(=O)[C@@H](CN(O)C=O)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C21H29N3O6/c1-21(2)10-6-9-17(20(29)24(21)13-18(26)27)22-19(28)16(12-23(30)14-25)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,30H,6,9-13H2,1-2H3,(H,22,28)(H,26,27)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Neutral endopeptidase				Bioorg Med Chem Lett 10: 257-60 (2000) BindingDB Entry DOI: 10.7270/Q2BK1BJ8
					More data for this Ligand-Target Pair