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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50004407'   
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))
BDBM50004407
PNG
(CHEMBL319378 | {3-[2-(2-tert-Butoxycarbonylamino-3...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(O)=O
Show InChI InChI=1S/C32H47N5O7S/c1-32(2,3)44-31(43)37-25(15-22-12-8-5-9-13-22)29(41)36-26(16-23-17-33-20-34-23)30(42)35-24(14-21-10-6-4-7-11-21)27(38)18-45-19-28(39)40/h5,8-9,12-13,17,20-21,24-27,38H,4,6-7,10-11,14-16,18-19H2,1-3H3,(H,33,34)(H,35,42)(H,36,41)(H,37,43)(H,39,40)/t24-,25-,26-,27-/m0/s1
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Similars

Article
PubMed
n/an/a 904n/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