BDBM50114910 (3R,5S)-1-(4-Chloro-benzenesulfonyl)-5-(5-methylsulfanyl-4-phenyl-4H-[1,2,4]triazol-3-yl)-pyrrolidine-3-thiol::CHEMBL296360

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

InChI Key: InChIKey=IPNFVYQPMRLISQ-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 = 50114910   

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))	BDBM50114910 ((3R,5S)-1-(4-Chloro-benzenesulfonyl)-5-(5-methylsu...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(Cl)cc2)n1-c1ccccc1 Show InChI InChI=1S/C19H19ClN4O2S3/c1-28-19-22-21-18(24(19)14-5-3-2-4-6-14)17-11-15(27)12-23(17)29(25,26)16-9-7-13(20)8-10-16/h2-10,15,17,27H,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	1.20E+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