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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50329048   
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))
BDBM50329048
PNG
((2-(2-chloro-6-fluorobenzyl)-1-phenyl-1H-indol-3-y...)
Show SMILES Fc1cccc(Cl)c1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C26H23ClFN3O/c27-21-10-6-11-22(28)20(21)17-24-25(26(32)30-15-13-29-14-16-30)19-9-4-5-12-23(19)31(24)18-7-2-1-3-8-18/h1-12,29H,13-17H2
PDB
MMDB

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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer


Bioorg Med Chem Lett 20: 6268-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.092
BindingDB Entry DOI: 10.7270/Q2VH5P2M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)