BDBM50114917 (3R,5S)-5-[4-(4-Fluoro-benzyl)-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl]-1-(naphthalene-2-sulfonyl)-pyrrolidine-3-thiol::CHEMBL299074

SMILES: CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1Cc1ccc(F)cc1

InChI Key: InChIKey=WAUPDZJGGBCBAR-IRLDBZIGSA-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 = 50114917   

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))	BDBM50114917 ((3R,5S)-5-[4-(4-Fluoro-benzyl)-5-methylsulfanyl-4H...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1Cc1ccc(F)cc1 Show InChI InChI=1S/C24H23FN4O2S3/c1-33-24-27-26-23(28(24)14-16-6-9-19(25)10-7-16)22-13-20(32)15-29(22)34(30,31)21-11-8-17-4-2-3-5-18(17)12-21/h2-12,20,22,32H,13-15H2,1H3/t20-,22+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	150	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