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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50289727'   
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))
BDBM50289727
PNG
(4-Hydroxy-piperidine-1-carboxylic acid ((S)-1-{[(S...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1
Show InChI InChI=1S/C36H56N6O6/c1-24(2)32(44)21-33(45)29(18-25-10-6-4-7-11-25)39-34(46)31(20-27-22-37-23-38-27)41(3)35(47)30(19-26-12-8-5-9-13-26)40-36(48)42-16-14-28(43)15-17-42/h5,8-9,12-13,22-25,28-33,43-45H,4,6-7,10-11,14-21H2,1-3H3,(H,37,38)(H,39,46)(H,40,48)/t29-,30-,31-,32-,33-/m0/s1
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PC cid
PC sid
UniChem
Article
n/an/a 0.680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair