Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 422.4 BDBM50046132

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))	BDBM50046132 (2-[propyl-hydroxy-phosphorylamino)-4-methyl-pentan...) Show SMILES CCCP([O-])(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C20H30N3O5P/c1-4-9-29(27,28)23-17(10-13(2)3)19(24)22-18(20(25)26)11-14-12-21-16-8-6-5-7-15(14)16/h5-8,12-13,17-18,21H,4,9-11H2,1-3H3,(H,22,24)(H,25,26)(H2,23,27,28)/p-1/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Corp Curated by ChEMBL					Assay Description Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate				J Med Chem 36: 173-6 (1993) BindingDB Entry DOI: 10.7270/Q22V2GR8
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