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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50352958'   
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))		BDBM50352958
PNG
(CHEMBL1824932)
Show SMILES Fc1ccc(Cl)c(Oc2c(C(=O)N3CCNCC3)c3ncccc3n2-c2ccccc2)c1
Show InChI InChI=1S/C24H20ClFN4O2/c25-18-9-8-16(26)15-20(18)32-24-21(23(31)29-13-11-27-12-14-29)22-19(7-4-10-28-22)30(24)17-5-2-1-3-6-17/h1-10,15,27H,11-14H2
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MMDB

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n/an/a 55n/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