BDBM50048310 (S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-cyclopentanecarbonyl]-amino}-3-pyridin-2-yl-propionic acid::CHEMBL356343

SMILES: CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccccn1)C(O)=O

InChI Key: InChIKey=ONUMXEXBJUQLSU-GJZGRUSLSA-N

Data: 2 IC50

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 2 hits for monomerid = 50048310   

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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048310 ((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccccn1)C(O)=O Show InChI InChI=1S/C19H27N3O4S/c1-12(2)15(27)16(23)22-19(8-4-5-9-19)18(26)21-14(17(24)25)11-13-7-3-6-10-20-13/h3,6-7,10,12,14-15,27H,4-5,8-9,11H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 38: 5023-30 (1996) BindingDB Entry DOI: 10.7270/Q26D5TMH
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50048310 ((S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-c...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccccn1)C(O)=O Show InChI InChI=1S/C19H27N3O4S/c1-12(2)15(27)16(23)22-19(8-4-5-9-19)18(26)21-14(17(24)25)11-13-7-3-6-10-20-13/h3,6-7,10,12,14-15,27H,4-5,8-9,11H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Evaluation of in vitro inhibitory activity against Neutral endopeptidase				J Med Chem 38: 5023-30 (1996) BindingDB Entry DOI: 10.7270/Q26D5TMH
					More data for this Ligand-Target Pair