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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 = 'BDBM50048314'   
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


(Oryctolagus cuniculus)		BDBM50048314
PNG
((S)-3-(1H-Indol-3-yl)-2-{[1-((S)-2-mercapto-3-meth...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C22H29N3O4S/c1-13(2)18(30)19(26)25-22(9-5-6-10-22)21(29)24-17(20(27)28)11-14-12-23-16-8-4-3-7-15(14)16/h3-4,7-8,12-13,17-18,23,30H,5-6,9-11H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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PC cid
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PubMed
n/an/a 10n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme

J Med Chem 38: 5023-30 (1996)


BindingDB Entry DOI: 10.7270/Q26D5TMH
More data for this
Ligand-Target Pair