BDBM50114911 (3R,5S)-1-(Naphthalene-2-sulfonyl)-5-(4-phenyl-5-propylsulfanyl-4H-[1,2,4]triazol-3-yl)-pyrrolidine-3-thiol::CHEMBL47987

SMILES: CCCSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1

InChI Key: InChIKey=LSYJHBPJKFFXRH-GGAORHGYSA-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 = 50114911   

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))	BDBM50114911 ((3R,5S)-1-(Naphthalene-2-sulfonyl)-5-(4-phenyl-5-p...) Show SMILES CCCSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1 Show InChI InChI=1S/C25H26N4O2S3/c1-2-14-33-25-27-26-24(29(25)20-10-4-3-5-11-20)23-16-21(32)17-28(23)34(30,31)22-13-12-18-8-6-7-9-19(18)15-22/h3-13,15,21,23,32H,2,14,16-17H2,1H3/t21-,23+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	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