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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50027605'   
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


(Rattus norvegicus)		BDBM50027605
PNG
(1-[3-Benzoylsulfanyl-4-(3-fluoro-phenyl)-4-oxo-but...)
Show SMILES OC(=O)C1CCCN1C(=O)CC(SC(=O)c1ccccc1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C22H20FNO5S/c23-16-9-4-8-15(12-16)20(26)18(30-22(29)14-6-2-1-3-7-14)13-19(25)24-11-5-10-17(24)21(27)28/h1-4,6-9,12,17-18H,5,10-11,13H2,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 176n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antihypertensive activity determined by inhibition of angiotensin I converting enzyme

J Med Chem 26: 381-93 (1983)


BindingDB Entry DOI: 10.7270/Q2XS5VZQ
More data for this
Ligand-Target Pair