BDBM50048307 (S)-3-(4-Hydroxy-phenyl)-2-{[2-((S)-2-mercapto-3-methyl-butyrylamino)-indane-2-carbonyl]-amino}-propionic acid::CHEMBL147595

SMILES: CC(C)[C@H](S)C(=O)NC1(Cc2ccccc2C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=NQQDERKIKZBKHO-PMACEKPBSA-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 = 50048307   

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
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50048307 ((S)-3-(4-Hydroxy-phenyl)-2-{[2-((S)-2-mercapto-3-m...) Show SMILES CC(C)[C@H](S)C(=O)NC1(Cc2ccccc2C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H28N2O5S/c1-14(2)20(32)21(28)26-24(12-16-5-3-4-6-17(16)13-24)23(31)25-19(22(29)30)11-15-7-9-18(27)10-8-15/h3-10,14,19-20,27,32H,11-13H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)/t19-,20-/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	25	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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048307 ((S)-3-(4-Hydroxy-phenyl)-2-{[2-((S)-2-mercapto-3-m...) Show SMILES CC(C)[C@H](S)C(=O)NC1(Cc2ccccc2C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H28N2O5S/c1-14(2)20(32)21(28)26-24(12-16-5-3-4-6-17(16)13-24)23(31)25-19(22(29)30)11-15-7-9-18(27)10-8-15/h3-10,14,19-20,27,32H,11-13H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)/t19-,20-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	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