BDBM50114909 (3R,5S)-5-(5-Methylsulfanyl-4-phenyl-4H-[1,2,4]triazol-3-yl)-1-(toluene-4-sulfonyl)-pyrrolidine-3-thiol::CHEMBL431355

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

InChI Key: InChIKey=SXUDBFJLCYVYAF-AEFFLSMTSA-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 = 50114909   

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))	BDBM50114909 ((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(C)cc2)n1-c1ccccc1 Show InChI InChI=1S/C20H22N4O2S3/c1-14-8-10-17(11-9-14)29(25,26)23-13-16(27)12-18(23)19-21-22-20(28-2)24(19)15-6-4-3-5-7-15/h3-11,16,18,27H,12-13H2,1-2H3/t16-,18+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+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