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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 17942   
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))
BDBM17942
PNG
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-2,7,7-trimeth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H41N3O3/c1-5-6-13-27-24(31)18(2)15-22(29)20(26)16-25(3,4)17-23(30)28-14-9-11-19-10-7-8-12-21(19)28/h7-8,10,12,18,20,22,29H,5-6,9,11,13-17,26H2,1-4H3,(H,27,31)/t18-,20+,22+/m1/s1
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pepsin A


(Porcine)
BDBM17942
PNG
((2R,4S,5S)-5-amino-N-butyl-4-hydroxy-2,7,7-trimeth...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H41N3O3/c1-5-6-13-27-24(31)18(2)15-22(29)20(26)16-25(3,4)17-23(30)28-14-9-11-19-10-7-8-12-21(19)28/h7-8,10,12,18,20,22,29H,5-6,9,11,13-17,26H2,1-4H3,(H,27,31)/t18-,20+,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a2.037



Novartis Pharmaceuticals



Assay Description
In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...


Chem Biol 7: 493-504 (2000)


Article DOI: 10.1016/S1074-5521(00)00134-4
BindingDB Entry DOI: 10.7270/Q2V40SGJ
More data for this
Ligand-Target Pair