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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50016048'   
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))
BDBM50016048
PNG
((1-Benzyl-4-{1-[2-(1-benzylcarbamoyl-3-methyl-buty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C48H62N4O7/c1-33(2)25-40(44(54)30-45(55)50-42(26-34(3)4)47(57)49-31-37-21-13-7-14-22-37)51-46(56)39(27-35-17-9-5-10-18-35)29-43(53)41(28-36-19-11-6-12-20-36)52-48(58)59-32-38-23-15-8-16-24-38/h5-24,33-34,39-44,53-54H,25-32H2,1-4H3,(H,49,57)(H,50,55)(H,51,56)(H,52,58)/t39-,40+,41+,42+,43?,44?/m1/s1
PDB
MMDB

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Similars

PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 838-45 (1990)


BindingDB Entry DOI: 10.7270/Q2T152M6
More data for this
Ligand-Target Pair