BDBM50083378 1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-mercapto-methyl}-3-sulfo-propyl-ammonium::CHEMBL148777

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

InChI Key: InChIKey=YBXYPMVTWBRFAI-SAVGLBRCSA-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 = 50083378   

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
Aminopeptidase A (Homo sapiens (Human))	BDBM50083378 (1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.60	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
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50083378 (1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	17	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
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50083378 (1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.21E+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))	BDBM50083378 (1-{[1-(1-Carboxy-2-sulfo-ethylcarbamoyl)-2-methyl-...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CCS([O-])(=O)=O)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O Show InChI InChI=1S/C14H27N3O10S3/c1-3-7(2)10(12(18)16-9(14(20)21)6-30(25,26)27)17-13(19)11(28)8(15)4-5-29(22,23)24/h7-11,28H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23,24)(H,25,26,27)/t7-,8-,9+,10+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>5.00E+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 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