Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.6 BDBM50091889

Wt: 482.6 BDBM50488969

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

Found 2 hits 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))	BDBM50091889 ((S)-3-Biphenyl-4-yl-2-{[1-((S)-2-mercapto-hexanoyl...) Show SMILES CCCC[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C27H34N2O4S/c1-2-3-11-23(34)24(30)29-27(16-7-8-17-27)26(33)28-22(25(31)32)18-19-12-14-21(15-13-19)20-9-5-4-6-10-20/h4-6,9-10,12-15,22-23,34H,2-3,7-8,11,16-18H2,1H3,(H,28,33)(H,29,30)(H,31,32)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of human Endothelin converting Enzyme-1 activity				Bioorg Med Chem Lett 10: 2037-9 (2001) BindingDB Entry DOI: 10.7270/Q2K35SW0
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50488969 (CHEMBL2297555) Show SMILES CCCC[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C27H34N2O4S/c1-2-3-11-23(34)24(30)29-27(16-7-8-17-27)26(33)28-22(25(31)32)18-19-12-14-21(15-13-19)20-9-5-4-6-10-20/h4-6,9-10,12-15,22-23,34H,2-3,7-8,11,16-18H2,1H3,(H,28,33)(H,29,30)(H,31,32)/t22?,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) endothelin converting enzyme-1				Citation and Details Article DOI: 10.1007/s00044-012-0433-z BindingDB Entry DOI: 10.7270/Q2S185DK
					More data for this Ligand-Target Pair