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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 = 'BDBM50051795'   
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)		BDBM50051795
PNG
((2S,5R)-5-(3-Hydroxy-phenyl)-1-{2-[(S)-3-(3-hydrox...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1cccc(O)c1)c1cccc(O)c1
Show InChI InChI=1S/C22H24N2O6S/c25-15-5-1-3-13(9-15)10-19(31)21(28)23-12-20(27)24-17(7-8-18(24)22(29)30)14-4-2-6-16(26)11-14/h1-6,9,11,17-19,25-26,31H,7-8,10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme

J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair