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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50289720'   
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))
BDBM50289720
PNG
(5-Chloro-1H-indole-2-carboxylic acid [(S)-1-((1S,2...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C29H40ClN5O4/c1-17(2)26(36)14-27(37)23(10-18-6-4-3-5-7-18)34-29(39)25(13-21-15-31-16-32-21)35-28(38)24-12-19-11-20(30)8-9-22(19)33-24/h8-9,11-12,15-18,23,25-27,33,36-37H,3-7,10,13-14H2,1-2H3,(H,31,32)(H,34,39)(H,35,38)/t23-,25-,26-,27-/m0/s1
PDB
MMDB

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Article
n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair