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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022532'   
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))
BDBM50022532
PNG
((+)(2)Hydroxy-3-{3-(1H-imidazol-4-yl)-2-[3-naphtha...)
Show SMILES COC(=O)[C@@H](O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)NCCc1ccccc1)Cc1cccc2ccccc12
Show InChI InChI=1S/C37H45N5O6/c1-24(2)18-31(34(44)37(47)48-3)41-36(46)32(21-29-22-38-23-40-29)42-35(45)28(19-27-14-9-13-26-12-7-8-15-30(26)27)20-33(43)39-17-16-25-10-5-4-6-11-25/h4-15,22-24,28,31-32,34,44H,16-21H2,1-3H3,(H,38,40)(H,39,43)(H,41,46)(H,42,45)/t28?,31?,32?,34-/m0/s1
PDB
MMDB

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Similars

PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human renin


J Med Chem 31: 701-4 (1988)


BindingDB Entry DOI: 10.7270/Q26H4GDB
More data for this
Ligand-Target Pair