Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 503.0 BDBM50096760

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))	BDBM50096760 ((S)-3-(4'-Chloro-biphenyl-4-yl)-2-{[1-((S)-2-merca...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C26H31ClN2O4S/c1-16(2)22(34)23(30)29-26(13-3-4-14-26)25(33)28-21(24(31)32)15-17-5-7-18(8-6-17)19-9-11-20(27)12-10-19/h5-12,16,21-22,34H,3-4,13-15H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity was tested against Endothelin converting enzyme 1				Bioorg Med Chem Lett 11: 375-8 (2001) BindingDB Entry DOI: 10.7270/Q2HH6JC8
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