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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 = 'BDBM50303330'   
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


(Homo sapiens (Human))
BDBM50303330
PNG
((2S)-2-{[3-(1,1'-Biphenyl)-2-{[hydroxyl(2-phenyl-(...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C43H42N3O7P/c47-41(45-39(42(48)49)26-35-27-44-38-19-11-10-18-37(35)38)36(24-31-20-22-34(23-21-31)33-16-8-3-9-17-33)29-54(51,52)40(25-30-12-4-1-5-13-30)46-43(50)53-28-32-14-6-2-7-15-32/h1-23,27,36,39-40,44H,24-26,28-29H2,(H,45,47)(H,46,50)(H,48,49)(H,51,52)/t36?,39-,40+/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic ACE C-terminal domain


J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
More data for this
Ligand-Target Pair