Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 550.6 BDBM50114908

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-converting enzyme 1 (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 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
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