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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 = 'BDBM50013613'   
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)		BDBM50013613
PNG
(3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-2...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@@H](CSC1c1ccc(Cl)c(c1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C23H26ClN3O7S2/c1-13(26-17(22(29)30)10-7-14-5-3-2-4-6-14)20(28)27-18(23(31)32)12-35-21(27)15-8-9-16(24)19(11-15)36(25,33)34/h2-6,8-9,11,13,17-18,21,26H,7,10,12H2,1H3,(H,29,30)(H,31,32)(H2,25,33,34)/t13-,17-,18-,21?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE) in rabbit lung

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair