BDBM50114908 (3R,5S)-5-[5-Methylsulfanyl-4-(4-trifluoromethyl-phenyl)-4H-[1,2,4]triazol-3-yl]-1-(naphthalene-2-sulfonyl)-pyrrolidine-3-thiol::CHEMBL298735

SMILES: CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=QHYMVYULGONNSO-CTNGQTDRSA-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 = 50114908   

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))	BDBM50114908 ((3R,5S)-5-[5-Methylsulfanyl-4-(4-trifluoromethyl-p...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H21F3N4O2S3/c1-35-23-29-28-22(31(23)18-9-7-17(8-10-18)24(25,26)27)21-13-19(34)14-30(21)36(32,33)20-11-6-15-4-2-3-5-16(15)12-20/h2-12,19,21,34H,13-14H2,1H3/t19-,21+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	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