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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50352989'   
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
Renin


(Homo sapiens (Human))
BDBM50352989
PNG
(CHEMBL1824964)
Show SMILES Cc1cnc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C27H27FN4O/c1-18-15-24-26(30-17-18)25(27(33)31-13-11-29-12-14-31)23(32(24)21-8-4-3-5-9-21)16-20-7-6-10-22(28)19(20)2/h3-10,15,17,29H,11-14,16H2,1-2H3
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MMDB

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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...


Bioorg Med Chem Lett 21: 5480-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.114
BindingDB Entry DOI: 10.7270/Q2HH6KFK
More data for this
Ligand-Target Pair