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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50004403'   
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))
BDBM50004403
PNG
(CHEMBL320685 | {3-[2-(2-tert-Butoxycarbonylamino-3...)
Show SMILES CCOC(=O)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H51N5O7S/c1-5-45-30(41)21-47-20-29(40)26(16-23-12-8-6-9-13-23)37-32(43)28(18-25-19-35-22-36-25)38-31(42)27(17-24-14-10-7-11-15-24)39-33(44)46-34(2,3)4/h7,10-11,14-15,19,22-23,26-29,40H,5-6,8-9,12-13,16-18,20-21H2,1-4H3,(H,35,36)(H,37,43)(H,38,42)(H,39,44)/t26-,27-,28-,29-/m0/s1
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Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair