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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50289719'   
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))
BDBM50289719
PNG
(1H-Pyrrole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc[nH]1
Show InChI InChI=1S/C25H39N5O4/c1-16(2)22(31)13-23(32)20(11-17-7-4-3-5-8-17)29-25(34)21(12-18-14-26-15-28-18)30-24(33)19-9-6-10-27-19/h6,9-10,14-17,20-23,27,31-32H,3-5,7-8,11-13H2,1-2H3,(H,26,28)(H,29,34)(H,30,33)/t20-,21-,22-,23-/m0/s1
PDB
MMDB

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PC cid
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Article
n/an/a 3.00E+3n/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