Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 617.6 BDBM50287104

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))	BDBM50287104 ((S)-2-{2-[(1-Benzyloxycarbonylamino-2-phenyl-ethyl...) Show SMILES CC(C)C(CP(O)([O-])=C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C33H37N3O7P/c1-22(2)27(31(37)35-29(32(38)39)18-25-19-34-28-16-10-9-15-26(25)28)21-44(41,42)30(17-23-11-5-3-6-12-23)36-33(40)43-20-24-13-7-4-8-14-24/h3-16,19,22,27,29,34H,17-18,20-21H2,1-2H3,(H4-,35,36,37,38,39,40,41,42)/q-1/p-1/t27?,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Endothelin-converting enzyme of guinea pig lung membrane				Bioorg Med Chem Lett 6: 1257-1260 (1996) Article DOI: 10.1016/0960-894X(96)00211-9 BindingDB Entry DOI: 10.7270/Q2ZS2X1M
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50287104 ((S)-2-{2-[(1-Benzyloxycarbonylamino-2-phenyl-ethyl...) Show SMILES CC(C)C(CP(O)([O-])=C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C33H37N3O7P/c1-22(2)27(31(37)35-29(32(38)39)18-25-19-34-28-16-10-9-15-26(25)28)21-44(41,42)30(17-23-11-5-3-6-12-23)36-33(40)43-20-24-13-7-4-8-14-24/h3-16,19,22,27,29,34H,17-18,20-21H2,1-2H3,(H4-,35,36,37,38,39,40,41,42)/q-1/p-1/t27?,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Endothelin-converting enzyme of guinea pig lung membrane				Bioorg Med Chem Lett 6: 1257-1260 (1996) Article DOI: 10.1016/0960-894X(96)00211-9 BindingDB Entry DOI: 10.7270/Q2ZS2X1M
					More data for this Ligand-Target Pair