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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50066161   
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))		BDBM50066161
PNG
(CHEMBL3400452)
Show SMILES CC[C@@H](OC(=O)N[C@@H]1CNC[C@H]1CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1)c1ccccc1 |r|
Show InChI InChI=1S/C30H43N3O6/c1-6-26(22-11-8-7-9-12-22)39-30(35)32-25-19-31-18-24(25)20-33(21(2)3)29(34)23-13-14-27(37-5)28(17-23)38-16-10-15-36-4/h7-9,11-14,17,21,24-26,31H,6,10,15-16,18-20H2,1-5H3,(H,32,35)/t24-,25+,26+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin by fluorescence based FRET assay

Bioorg Med Chem Lett 25: 1782-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.039
BindingDB Entry DOI: 10.7270/Q2Z039TX
More data for this
Ligand-Target Pair