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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50289726'   
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))
BDBM50289726
PNG
(1H-Benzoimidazole-2-carboxylic acid [(S)-1-((1S,2S...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C28H40N6O4/c1-17(2)24(35)14-25(36)22(12-18-8-4-3-5-9-18)33-27(37)23(13-19-15-29-16-30-19)34-28(38)26-31-20-10-6-7-11-21(20)32-26/h6-7,10-11,15-18,22-25,35-36H,3-5,8-9,12-14H2,1-2H3,(H,29,30)(H,31,32)(H,33,37)(H,34,38)/t22-,23-,24-,25-/m0/s1
PDB
MMDB

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PC cid
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Article
n/an/a 13n/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