BDBM50298111 3-(4-Hydroxy-phenyl)-2-[3-phenyl-2-(4,4,4-trifluoro-3-mercapto-butyrylamino)-propionylamino]-propionic acid::CHEMBL560409

SMILES: OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F

InChI Key: InChIKey=UZSANIKXISYLDQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50298111   

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))	BDBM50298111 (3-(4-Hydroxy-phenyl)-2-[3-phenyl-2-(4,4,4-trifluor...) Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F Show InChI InChI=1S/C22H23F3N2O5S/c23-22(24,25)18(33)12-19(29)26-16(10-13-4-2-1-3-5-13)20(30)27-17(21(31)32)11-14-6-8-15(28)9-7-14/h1-9,16-18,28,33H,10-12H2,(H,26,29)(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica Curated by ChEMBL					Assay Description Inhibition of human recombinant ACE by fluorimetry				Bioorg Med Chem Lett 19: 4715-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.064 BindingDB Entry DOI: 10.7270/Q2GH9JWT
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50298111 (3-(4-Hydroxy-phenyl)-2-[3-phenyl-2-(4,4,4-trifluor...) Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F Show InChI InChI=1S/C22H23F3N2O5S/c23-22(24,25)18(33)12-19(29)26-16(10-13-4-2-1-3-5-13)20(30)27-17(21(31)32)11-14-6-8-15(28)9-7-14/h1-9,16-18,28,33H,10-12H2,(H,26,29)(H,27,30)(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica Curated by ChEMBL					Assay Description Inhibition of human recombinant ECE1 by fluorimetry				Bioorg Med Chem Lett 19: 4715-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.064 BindingDB Entry DOI: 10.7270/Q2GH9JWT
					More data for this Ligand-Target Pair
Neprilysin (Sus scrofa)	BDBM50298111 (3-(4-Hydroxy-phenyl)-2-[3-phenyl-2-(4,4,4-trifluor...) Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)CC(S)C(F)(F)F Show InChI InChI=1S/C22H23F3N2O5S/c23-22(24,25)18(33)12-19(29)26-16(10-13-4-2-1-3-5-13)20(30)27-17(21(31)32)11-14-6-8-15(28)9-7-14/h1-9,16-18,28,33H,10-12H2,(H,26,29)(H,27,30)(H,31,32)	GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica Curated by ChEMBL					Assay Description Inhibition of pig kidney NEP by fluorimetry				Bioorg Med Chem Lett 19: 4715-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.064 BindingDB Entry DOI: 10.7270/Q2GH9JWT
					More data for this Ligand-Target Pair