BDBM50114914 (3R,5S)-5-(5-Isobutylsulfanyl-4-phenyl-4H-[1,2,4]triazol-3-yl)-1-(naphthalene-2-sulfonyl)-pyrrolidine-3-thiol::CHEMBL295865

SMILES: CC(C)CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1

InChI Key: InChIKey=ZOQPMFIWZLMKHE-VWNXMTODSA-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 = 50114914   

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))	BDBM50114914 ((3R,5S)-5-(5-Isobutylsulfanyl-4-phenyl-4H-[1,2,4]t...) Show SMILES CC(C)CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1 Show InChI InChI=1S/C26H28N4O2S3/c1-18(2)17-34-26-28-27-25(30(26)21-10-4-3-5-11-21)24-15-22(33)16-29(24)35(31,32)23-13-12-19-8-6-7-9-20(19)14-23/h3-14,18,22,24,33H,15-17H2,1-2H3/t22-,24+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	720	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
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