BDBM50083382 1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-mercapto-methyl}-3-phosphono-propyl-ammonium::CHEMBL356858

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=XBHDLYFGHVKBTL-ZROIDTBISA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50083382   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50083382 (1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against NEP from rabbit kidney(neutral endopeptidase)				J Med Chem 42: 5197-211 (2000) BindingDB Entry DOI: 10.7270/Q2028S8F
					More data for this Ligand-Target Pair
Aminopeptidase A (Homo sapiens (Human))	BDBM50083382 (1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against recombinant Aminopeptidase A				J Med Chem 42: 5197-211 (2000) BindingDB Entry DOI: 10.7270/Q2028S8F
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50083382 (1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against Angiotensin I converting enzyme from rat testis				J Med Chem 42: 5197-211 (2000) BindingDB Entry DOI: 10.7270/Q2028S8F
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50083382 (1-{[1-(1,2-Dicarboxy-ethylcarbamoyl)-2-methyl-buty...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCP(O)([O-])=O)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C15H28N3O9PS/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(29)8(16)4-5-28(25,26)27/h7-9,11-12,29H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H2,25,26,27)/t7-,8-,9+,11+,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against aminopeptidase N from pig kidney				J Med Chem 42: 5197-211 (2000) BindingDB Entry DOI: 10.7270/Q2028S8F
					More data for this Ligand-Target Pair