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PDB code 3OQF

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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

  (340/340 = 100%)
(Homo sapiens (Human))
BDBM50329046
PNG
((2-benzyl-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)m...)
Show SMILES O=C(N1CCNCC1)c1c(Cc2ccccc2)n(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2
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n/an/a 91n/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 (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output