Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 528.6 BDBM50096757

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))	BDBM50096757 (3-(3',5'-Dimethoxy-biphenyl-4-yl)-2-{[1-((S)-2-mer...) Show SMILES COc1cc(OC)cc(c1)-c1ccc(CC(NC(=O)C2(CCCC2)NC(=O)[C@@H](S)C(C)C)C(O)=O)cc1 Show InChI InChI=1S/C28H36N2O6S/c1-17(2)24(37)25(31)30-28(11-5-6-12-28)27(34)29-23(26(32)33)13-18-7-9-19(10-8-18)20-14-21(35-3)16-22(15-20)36-4/h7-10,14-17,23-24,37H,5-6,11-13H2,1-4H3,(H,29,34)(H,30,31)(H,32,33)/t23?,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	990	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
					More data for this Ligand-Target Pair