BDBM50048304 (S)-3-(4-Fluoro-phenyl)-2-{[1-((S)-2-mercapto-3-methyl-butyrylamino)-cyclopentanecarbonyl]-amino}-propionic acid::CHEMBL149364

SMILES: CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O

InChI Key: InChIKey=AJKIPGQALXLXDC-HOTGVXAUSA-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 = 50048304   

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)	BDBM50048304 ((S)-3-(4-Fluoro-phenyl)-2-{[1-((S)-2-mercapto-3-me...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C20H27FN2O4S/c1-12(2)16(28)17(24)23-20(9-3-4-10-20)19(27)22-15(18(25)26)11-13-5-7-14(21)8-6-13/h5-8,12,15-16,28H,3-4,9-11H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t15-,16-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	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))	BDBM50048304 ((S)-3-(4-Fluoro-phenyl)-2-{[1-((S)-2-mercapto-3-me...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C20H27FN2O4S/c1-12(2)16(28)17(24)23-20(9-3-4-10-20)19(27)22-15(18(25)26)11-13-5-7-14(21)8-6-13/h5-8,12,15-16,28H,3-4,9-11H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	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