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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50002988'   
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))
BDBM50002988
PNG
(CHEMBL118172 | Morpholine-4-carboxylic acid 1-[1-[...)
Show SMILES O[C@@H](CCSc1ccccn1)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1
Show InChI InChI=1S/C36H48N6O6S/c43-31(14-20-49-33-13-7-8-15-38-33)29(21-26-9-3-1-4-10-26)40-34(44)30(23-28-24-37-25-39-28)41-35(45)32(22-27-11-5-2-6-12-27)48-36(46)42-16-18-47-19-17-42/h2,5-8,11-13,15,24-26,29-32,43H,1,3-4,9-10,14,16-23H2,(H,37,39)(H,40,44)(H,41,45)/t29-,30-,31-,32-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 250n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair