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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 399.4
BDBM50020396

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

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50020396
PNG
(3-[2-(1-Carboxy-nonylamino)-butyryl]-1-methyl-2-ox...)
Show SMILES CCCCCCCC[C@H](N[C@@H](CC)C(=O)N1[C@@H](CN(C)C1=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H33N3O6/c1-4-6-7-8-9-10-11-14(17(24)25)20-13(5-2)16(23)22-15(18(26)27)12-21(3)19(22)28/h13-15,20H,4-12H2,1-3H3,(H,24,25)(H,26,27)/t13-,14-,15-/m0/s1
PDB
MMDB

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PubMed
n/an/a 2.40n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


J Med Chem 32: 289-97 (1989)


BindingDB Entry DOI: 10.7270/Q2XP75JS
More data for this
Ligand-Target Pair