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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 = 'BDBM50282852'   
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)		BDBM50282852
PNG
(1-[2-((S)-2-Mercaptomethyl-3-o-tolyl-propionylamin...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1C)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C19H26N2O4S/c1-12-6-3-4-7-14(12)10-15(11-26)17(22)20-13(2)18(23)21-9-5-8-16(21)19(24)25/h3-4,6-7,13,15-16,26H,5,8-11H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars
Article
n/an/a 69n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate

Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair