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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50285792'   
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))
BDBM50285792
PNG
(4-Oxo-piperidine-1-carboxylic acid {(S)-1-[(R)-1-(...)
Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C33H52N4O6S/c1-22(2)18-29(39)30(40)26(19-23-10-6-4-7-11-23)34-32(42)28(21-44-3)35-31(41)27(20-24-12-8-5-9-13-24)36-33(43)37-16-14-25(38)15-17-37/h5,8-9,12-13,22-23,26-30,39-40H,4,6-7,10-11,14-21H2,1-3H3,(H,34,42)(H,35,41)(H,36,43)/t26-,27-,28-,29-,30+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against recombinant human renin (rHR)


Bioorg Med Chem Lett 5: 2623-2626 (1995)


Article DOI: 10.1016/0960-894X(95)00456-4
BindingDB Entry DOI: 10.7270/Q2C24WDC
More data for this
Ligand-Target Pair