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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 = 'BDBM50048306'   
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)		BDBM50048306
PNG
((S)-2-[(S)-3-Biphenyl-4-yl-2-((S)-2-mercapto-3-met...)
Show SMILES CC(C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C29H32N2O5S/c1-18(2)26(37)28(34)30-24(16-19-8-12-22(13-9-19)21-6-4-3-5-7-21)27(33)31-25(29(35)36)17-20-10-14-23(32)15-11-20/h3-15,18,24-26,32,37H,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,35,36)/t24-,25-,26-/m0/s1
PDB
MMDB

KEGG

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KEGG
PC cid
PC sid
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Similars
PubMed
n/an/a 62n/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