BDBM50114906 (3R,5S)-5-(5-Methylsulfanyl-4-phenyl-4H-[1,2,4]triazol-3-yl)-1-(4-trifluoromethyl-benzenesulfonyl)-pyrrolidine-3-thiol::CHEMBL50772

SMILES: CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(cc2)C(F)(F)F)n1-c1ccccc1

InChI Key: InChIKey=BFNXZHFEADKMSV-WBVHZDCISA-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 = 50114906   

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))	BDBM50114906 ((3R,5S)-5-(5-Methylsulfanyl-4-phenyl-4H-[1,2,4]tri...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(cc2)C(F)(F)F)n1-c1ccccc1 Show InChI InChI=1S/C20H19F3N4O2S3/c1-31-19-25-24-18(27(19)14-5-3-2-4-6-14)17-11-15(30)12-26(17)32(28,29)16-9-7-13(8-10-16)20(21,22)23/h2-10,15,17,30H,11-12H2,1H3/t15-,17+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	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