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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 = 'BDBM50027607'   
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)		BDBM50027607
PNG
(1-[3-Acetylsulfanyl-4-(3-fluoro-phenyl)-4-oxo-buty...)
Show SMILES CC(=O)SC(CC(=O)N1CCCC1C(O)=O)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FNO5S/c1-10(20)25-14(16(22)11-4-2-5-12(18)8-11)9-15(21)19-7-3-6-13(19)17(23)24/h2,4-5,8,13-14H,3,6-7,9H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 317n/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