BDBM50114913 (2S,4R)-4-Mercapto-2-(5-methylsulfanyl-4-phenyl-4H-[1,2,4]triazol-3-yl)-pyrrolidine-1-carboxylic acid (4-fluoro-phenyl)-amide::CHEMBL417721

SMILES: CSc1nnc([C@@H]2C[C@@H](S)CN2C(=O)Nc2ccc(F)cc2)n1-c1ccccc1

InChI Key: InChIKey=ZXKNXENWGSKSTK-SJORKVTESA-N

Data: 1 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 1 hit for monomerid = 50114913   

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
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM50114913 ((2S,4R)-4-Mercapto-2-(5-methylsulfanyl-4-phenyl-4H...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2C(=O)Nc2ccc(F)cc2)n1-c1ccccc1 Show InChI InChI=1S/C20H20FN5OS2/c1-29-20-24-23-18(26(20)15-5-3-2-4-6-15)17-11-16(28)12-25(17)19(27)22-14-9-7-13(21)8-10-14/h2-10,16-17,28H,11-12H2,1H3,(H,22,27)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair