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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50352985'   
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))		BDBM50352985
PNG
(CHEMBL1824960)
Show SMILES Cc1cnc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1
Show InChI InChI=1S/C26H25FN4O2/c1-17-14-21-24(29-16-17)23(25(32)30-12-10-28-11-13-30)26(31(21)20-6-4-3-5-7-20)33-22-15-19(27)9-8-18(22)2/h3-9,14-16,28H,10-13H2,1-2H3
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Article
PubMed
n/an/a 14n/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