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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50352990'   
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))		BDBM50352990
PNG
(CHEMBL1824965)
Show SMILES COc1ccc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2n1)-c1ccccc1
Show InChI InChI=1S/C27H27FN4O2/c1-18-19(7-6-10-21(18)28)17-23-25(27(33)31-15-13-29-14-16-31)26-22(11-12-24(30-26)34-2)32(23)20-8-4-3-5-9-20/h3-12,29H,13-17H2,1-2H3
PDB
MMDB

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n/an/a 590n/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