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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Prion protein' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Prion protein


(Mus musculus)
BDBM50333110
PNG
(CHEMBL1631113 | N-(1-(indolin-1-yl)-3-methyl-1-oxo...)
Show SMILES CCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-3-15(2)19(22-20(24)17-10-5-4-6-11-17)21(25)23-14-13-16-9-7-8-12-18(16)23/h4-12,15,19H,3,13-14H2,1-2H3,(H,22,24)
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n/an/an/a 5.12E+4n/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant PrP (121-231) after 10 mins by surface plasmon resonance assay


Antimicrob Agents Chemother 53: 765-71 (2009)

More data for this
Ligand-Target Pair
Prion protein


(Mus musculus)
BDBM50333111
PNG
(2-(2-(butylamino)-1H-benzo[d]imidazol-1-yl)-1-(ind...)
Show SMILES CCCCNc1nc2ccccc2n1CC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C21H24N4O/c1-2-3-13-22-21-23-17-9-5-7-11-19(17)25(21)15-20(26)24-14-12-16-8-4-6-10-18(16)24/h4-11H,2-3,12-15H2,1H3,(H,22,23)
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n/an/an/a 2.00E+4n/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant PrP (121-231) after 10 mins by surface plasmon resonance assay


Antimicrob Agents Chemother 53: 765-71 (2009)

More data for this
Ligand-Target Pair
Prion protein


(Mus musculus)
BDBM50333115
PNG
(CHEMBL1631205 | N-(3-cyano-5,6,7,8-tetrahydro-4H-c...)
Show SMILES CC1CCCCN1CC(=O)Nc1sc2CCCCCc2c1C#N
Show InChI InChI=1S/C18H25N3OS/c1-13-7-5-6-10-21(13)12-17(22)20-18-15(11-19)14-8-3-2-4-9-16(14)23-18/h13H,2-10,12H2,1H3,(H,20,22)
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n/an/an/a 2.19E+4n/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant PrP (121-231) after 10 mins by surface plasmon resonance assay


Antimicrob Agents Chemother 53: 765-71 (2009)

More data for this
Ligand-Target Pair
Prion protein


(Mus musculus)
BDBM50333113
PNG
(8-methyl-7-(2-(piperidin-1-yl)ethylthio)-2,3-dihyd...)
Show SMILES Cc1cc2cc3OCCOc3cc2nc1SCCN1CCCCC1
Show InChI InChI=1S/C19H24N2O2S/c1-14-11-15-12-17-18(23-9-8-22-17)13-16(15)20-19(14)24-10-7-21-5-3-2-4-6-21/h11-13H,2-10H2,1H3
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n/an/an/a 5.08E+4n/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant PrP (121-231) after 10 mins by surface plasmon resonance assay


Antimicrob Agents Chemother 53: 765-71 (2009)

More data for this
Ligand-Target Pair
Prion protein


(Mus musculus)
BDBM50333114
PNG
(2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)NC1CCc2ccccc2C1
Show InChI InChI=1S/C20H20N2O/c23-20(12-16-13-21-19-8-4-3-7-18(16)19)22-17-10-9-14-5-1-2-6-15(14)11-17/h1-8,13,17,21H,9-12H2,(H,22,23)
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n/an/an/a 4.86E+4n/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant PrP (121-231) after 10 mins by surface plasmon resonance assay


Antimicrob Agents Chemother 53: 765-71 (2009)

More data for this
Ligand-Target Pair
Prion protein


(Mus musculus)
BDBM50333112
PNG
(3-amino-N-cyclopentyl-8-methylthieno[2,3-b]quinoli...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C(=O)NC1CCCC1
Show InChI InChI=1S/C18H19N3OS/c1-10-5-4-6-11-9-13-14(19)16(23-18(13)21-15(10)11)17(22)20-12-7-2-3-8-12/h4-6,9,12H,2-3,7-8,19H2,1H3,(H,20,22)
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n/an/an/a 8.61E+4n/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant PrP (121-231) after 10 mins by surface plasmon resonance assay


Antimicrob Agents Chemother 53: 765-71 (2009)

More data for this
Ligand-Target Pair