BDBM50046266 2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-pentanoylamino]-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL172978

SMILES: CCC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=CLFZKEZRSHMJQM-UHFFFAOYSA-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 = 50046266   

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 (Homo sapiens (Human))	BDBM50046266 (2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-p...) Show SMILES CCC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C26H34N2O5S/c1-4-16(2)23(28-24(30)21(17(3)34)14-18-8-6-5-7-9-18)25(31)27-22(26(32)33)15-19-10-12-20(29)13-11-19/h5-13,16-17,21-23,29,34H,4,14-15H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50046266 (2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-p...) Show SMILES CCC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C26H34N2O5S/c1-4-16(2)23(28-24(30)21(17(3)34)14-18-8-6-5-7-9-18)25(31)27-22(26(32)33)15-19-10-12-20(29)13-11-19/h5-13,16-17,21-23,29,34H,4,14-15H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair