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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50289717'   
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))
BDBM50289717
PNG
(Benzo[b]thiophene-2-carboxylic acid [(S)-1-((1S,2S...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C29H40N4O4S/c1-18(2)24(34)15-25(35)22(12-19-8-4-3-5-9-19)32-28(36)23(14-21-16-30-17-31-21)33-29(37)27-13-20-10-6-7-11-26(20)38-27/h6-7,10-11,13,16-19,22-25,34-35H,3-5,8-9,12,14-15H2,1-2H3,(H,30,31)(H,32,36)(H,33,37)/t22-,23-,24-,25-/m0/s1
PDB
MMDB

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PC cid
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UniChem
Article
n/an/a 8.20E+3n/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