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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 = 'BDBM50048323'   
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)		BDBM50048323
PNG
((S)-3-(4-Hydroxy-phenyl)-2-{[2-((S)-2-mercapto-3-m...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CC2CCC1C2)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |TLB:15:8:14:12.11,THB:7:8:14:12.11|
Show InChI InChI=1S/C22H30N2O5S/c1-12(2)18(30)19(26)24-22(11-14-3-6-15(22)9-14)21(29)23-17(20(27)28)10-13-4-7-16(25)8-5-13/h4-5,7-8,12,14-15,17-18,25,30H,3,6,9-11H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t14?,15?,17-,18-,22?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 65n/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