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Compile Data Set for Download or QSAR

Found 258 hits Enz. Inhib. hit(s) with Target = 'Prion protein'   
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
Prion protein


(Homo sapiens)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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PubMed
n/an/an/an/a 300n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prion protein


(Homo sapiens)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM67545
PNG
(N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine;h...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prion protein


(Homo sapiens)
BDBM50131719
PNG
(CHEMBL39560 | acepromazine)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O
Show InChI InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM50017696
PNG
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)
Show SMILES CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
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n/an/an/an/a 8.00E+3n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM50003659
PNG
(5H-dibenzo[b,f]azepine-5-carboxamide | CARBAMAZEPI...)
Show SMILES NC(=O)N1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM50131720
PNG
(9,10-diazaanthracene | CHEMBL119870 | acridizine |...)
Show SMILES c1ccc2nc3ccccc3nc2c1
Show InChI InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
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n/an/an/an/a>1.00E+4n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



Institut f£r Molekularbiologie und Biophysik

Curated by ChEMBL


Assay Description
Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells


J Med Chem 46: 3563-4 (2003)


Article DOI: 10.1021/jm034093h
BindingDB Entry DOI: 10.7270/Q2J103WT
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42577
PNG
(5-(2-methylphenyl)-3H-1,3,4-oxadiazole-2-thione | ...)
Show SMILES Cc1ccccc1-c1nnc(S)o1
Show InChI InChI=1S/C9H8N2OS/c1-6-4-2-3-5-7(6)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13)
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n/an/a 5.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114305
PNG
(2,6-Diamino-4-p-tolyl-4H-thiopyran-3,5-dicarbonitr...)
Show SMILES Cc1ccc(cc1)C1C(C#N)C(=N)SC(=N)C1C#N
Show InChI InChI=1S/C14H12N4S/c1-8-2-4-9(5-3-8)12-10(6-15)13(17)19-14(18)11(12)7-16/h2-5,10-12,17-18H,1H3
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n/an/a 1.86E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42597
PNG
((Quinolin-2-ylsulfanyl)-acetic acid | 2-(2-quinoli...)
Show SMILES OC(=O)CSc1ccc2ccccc2n1
Show InChI InChI=1S/C11H9NO2S/c13-11(14)7-15-10-6-5-8-3-1-2-4-9(8)12-10/h1-6H,7H2,(H,13,14)
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n/an/a 6.89E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM40943
PNG
((2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid ...)
Show SMILES COC(=O)CSc1nc(nc2ccccc12)C(C)C
Show InChI InChI=1S/C14H16N2O2S/c1-9(2)13-15-11-7-5-4-6-10(11)14(16-13)19-8-12(17)18-3/h4-7,9H,8H2,1-3H3
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n/an/a 910n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM37876
PNG
(3-Chloro-6-methoxy-benzo[b]thiophene-2-carboxylic ...)
Show SMILES COc1ccc2c(Cl)c(sc2c1)C(N)=O
Show InChI InChI=1S/C10H8ClNO2S/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4H,1H3,(H2,12,13)
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n/an/a 2.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42605
PNG
(MLS000073796 | N-(5-Methyl-isoxazol-3-yl)-2-(2-pro...)
Show SMILES CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
Show InChI InChI=1S/C17H18N4O2S/c1-3-6-14-18-13-8-5-4-7-12(13)17(20-14)24-10-16(22)19-15-9-11(2)23-21-15/h4-5,7-9H,3,6,10H2,1-2H3,(H,19,21,22)
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n/an/a 1.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114306
PNG
((2-Ethyl-quinazolin-4-ylsulfanyl)-acetic acid ethy...)
Show SMILES CCOC(=O)CSc1nc(CC)nc2ccccc12
Show InChI InChI=1S/C14H16N2O2S/c1-3-12-15-11-8-6-5-7-10(11)14(16-12)19-9-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42607
PNG
(2-(6-Bromo-quinazolin-4-ylamino)-4-methylsulfanyl-...)
Show SMILES CSCCC(Nc1ncnc2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C13H14BrN3O2S/c1-20-5-4-11(13(18)19)17-12-9-6-8(14)2-3-10(9)15-7-16-12/h2-3,6-7,11H,4-5H2,1H3,(H,18,19)(H,15,16,17)
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n/an/a 1.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114307
PNG
(5-(4-bromophenyl)-2-furamide | 5-(4-bromophenyl)-2...)
Show SMILES NC(=O)c1ccc(o1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H8BrNO2/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H2,13,14)
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n/an/a 7.43E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM66153
PNG
(6,8-bis(bromanyl)-4-piperidin-1-yl-quinazoline | 6...)
Show SMILES Brc1cc(Br)c2ncnc(N3CCCCC3)c2c1
Show InChI InChI=1S/C13H13Br2N3/c14-9-6-10-12(11(15)7-9)16-8-17-13(10)18-4-2-1-3-5-18/h6-8H,1-5H2
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n/an/a 1.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM47052
PNG
(3-(2-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-t...)
Show SMILES COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1
Show InChI InChI=1S/C15H13N3OS/c1-19-13-10-6-5-9-12(13)14-16-17-15(20)18(14)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)
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n/an/a 7.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM66155
PNG
(5-bromanyl-3-ethyl-1H-indole-2-carboxylic acid | 5...)
Show SMILES CCc1c([nH]c2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C11H10BrNO2/c1-2-7-8-5-6(12)3-4-9(8)13-10(7)11(14)15/h3-5,13H,2H2,1H3,(H,14,15)
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n/an/a 5.95E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42635
PNG
(2-(2-quinolinylthio)propanoic acid | 2-(2-quinolyl...)
Show SMILES CC(Sc1ccc2ccccc2n1)C(O)=O
Show InChI InChI=1S/C12H11NO2S/c1-8(12(14)15)16-11-7-6-9-4-2-3-5-10(9)13-11/h2-8H,1H3,(H,14,15)
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n/an/a 1.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42636
PNG
(3-(2-quinolinylthio)propanoic acid | 3-(2-quinolyl...)
Show SMILES OC(=O)CCSc1ccc2ccccc2n1
Show InChI InChI=1S/C12H11NO2S/c14-12(15)7-8-16-11-6-5-9-3-1-2-4-10(9)13-11/h1-6H,7-8H2,(H,14,15)
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n/an/a 3.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114308
PNG
(1-[1-(3-bromobenzyl)-2,6-diketo-3,7-dimethyl-purin...)
Show SMILES Cn1c(nc2n(C)c(=O)n(Cc3cccc(Br)c3)c(=O)c12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C20H23BrN6O3/c1-24-15-17(23-19(24)26-8-6-13(7-9-26)16(22)28)25(2)20(30)27(18(15)29)11-12-4-3-5-14(21)10-12/h3-5,10,13H,6-9,11H2,1-2H3,(H2,22,28)
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n/an/a 8.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114309
PNG
((5E)-1-(4-methylphenyl)-5-[1-(3-pyridinylmethylami...)
Show SMILES CC(=NCc1cccnc1)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N4O3/c1-12-5-7-15(8-6-12)23-18(25)16(17(24)22-19(23)26)13(2)21-11-14-4-3-9-20-10-14/h3-10,25H,11H2,1-2H3,(H,22,24,26)
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n/an/a 1.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42643
PNG
(6-(5-bromanylfuran-2-yl)-3-(furan-2-yl)-[1,2,4]tri...)
Show SMILES Brc1ccc(o1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C11H5BrN4O2S/c12-8-4-3-7(18-8)10-15-16-9(6-2-1-5-17-6)13-14-11(16)19-10/h1-5H
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n/an/a 4.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM36923
PNG
((Z)-3,4-bis(benzenesulfonyl)-2-buten-1-ol | (Z)-3,...)
Show SMILES OC\C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16O5S2/c17-12-11-16(23(20,21)15-9-5-2-6-10-15)13-22(18,19)14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-
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n/an/a 9.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM39607
PNG
(2-(5-bromanylfuran-2-yl)-5-(3,4-dimethoxyphenyl)-1...)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1ccc(Br)o1
Show InChI InChI=1S/C14H11BrN2O4/c1-18-9-4-3-8(7-11(9)19-2)13-16-17-14(21-13)10-5-6-12(15)20-10/h3-7H,1-2H3
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n/an/a 4.59E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM87650
PNG
(MLS000048928 | N-(2-furanylmethyl)-2-(4-quinazolin...)
Show SMILES O=C(CSc1ncnc2ccccc12)NCc1ccco1
Show InChI InChI=1S/C15H13N3O2S/c19-14(16-8-11-4-3-7-20-11)9-21-15-12-5-1-2-6-13(12)17-10-18-15/h1-7,10H,8-9H2,(H,16,19)
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n/an/a 6.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114310
PNG
(6-amino-1-benzyl-3-methyl-5-[2-(1,3,4-thiadiazol-2...)
Show SMILES Cn1c(=O)c(C(=O)CSc2nncs2)c(N)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C16H15N5O3S2/c1-20-14(23)12(11(22)8-25-15-19-18-9-26-15)13(17)21(16(20)24)7-10-5-3-2-4-6-10/h2-6,9H,7-8,17H2,1H3
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n/an/a 8.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM68498
PNG
(2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(O)=O
Show InChI InChI=1S/C15H13FN4O2S/c1-2-11(15(21)22)23-13-8-7-12-17-18-14(20(12)19-13)9-3-5-10(16)6-4-9/h3-8,11H,2H2,1H3,(H,21,22)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114311
PNG
(1-[1-[4-amino-6-(N-phenylanilino)-1,3,5-triazin-2-...)
Show SMILES CC(=O)c1nnn(c1C)-c1nc(N)nc(n1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H18N8O/c1-13-17(14(2)29)25-26-28(13)20-23-18(21)22-19(24-20)27(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,21,22,23,24)
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n/an/a 1.92E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42714
PNG
(MLS000089894 | N-(3-chlorophenyl)-2-[[5-cyano-6-(2...)
Show SMILES Clc1cccc(NC(=O)CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C17H11ClN4O3S/c18-10-3-1-4-11(7-10)20-14(23)9-26-17-21-15(13-5-2-6-25-13)12(8-19)16(24)22-17/h1-7H,9H2,(H,20,23)(H,21,22,24)
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n/an/a 1.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42732
PNG
(2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-...)
Show SMILES CC(C(O)=O)n1nc(C)c2sc3ccccc3c2c1=O
Show InChI InChI=1S/C14H12N2O3S/c1-7-12-11(9-5-3-4-6-10(9)20-12)13(17)16(15-7)8(2)14(18)19/h3-6,8H,1-2H3,(H,18,19)
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n/an/a 8.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42791
PNG
(2-[(4-fluorobenzyl)thio]-4-(2-furyl)-6-oxo-1,6-dih...)
Show SMILES Fc1ccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C16H10FN3O2S/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)
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n/an/a 1.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42805
PNG
(6-({[2-(methoxycarbonyl)-3-thienyl]amino}carbonyl)...)
Show SMILES COC(=O)c1sccc1NC(=O)C1CC=CCC1C(O)=O
Show InChI InChI=1S/C14H15NO5S/c1-20-14(19)11-10(6-7-21-11)15-12(16)8-4-2-3-5-9(8)13(17)18/h2-3,6-9H,4-5H2,1H3,(H,15,16)(H,17,18)
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n/an/a 2.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42817
PNG
(5-(5-chloranyl-2-methoxy-phenyl)-3H-1,3,4-oxadiazo...)
Show SMILES COc1ccc(Cl)cc1-c1nnc(S)o1
Show InChI InChI=1S/C9H7ClN2O2S/c1-13-7-3-2-5(10)4-6(7)8-11-12-9(15)14-8/h2-4H,1H3,(H,12,15)
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n/an/a 2.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM43247
PNG
(2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...)
Show SMILES Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1
Show InChI InChI=1S/C17H13N5O3S/c1-10-7-13(22-25-10)19-14(23)9-26-17-20-15(11-5-3-2-4-6-11)12(8-18)16(24)21-17/h2-7H,9H2,1H3,(H,19,22,23)(H,20,21,24)
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n/an/a 7.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM54967
PNG
(5-bromanyl-3H-benzo[e]benzimidazole | 5-bromo-1H-n...)
Show SMILES Brc1cc2[nH]cnc2c2ccccc12
Show InChI InChI=1S/C11H7BrN2/c12-9-5-10-11(14-6-13-10)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)
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n/an/a 5.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM42858
PNG
(3-(2-methylquinazolin-4-yl)sulfanylpropanoic acid ...)
Show SMILES Cc1nc(SCCC(O)=O)c2ccccc2n1
Show InChI InChI=1S/C12H12N2O2S/c1-8-13-10-5-3-2-4-9(10)12(14-8)17-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
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n/an/a 915n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114312
PNG
(3-(4,8-Dimethyl-quinolin-2-ylsulfanyl)-propionic a...)
Show SMILES Cc1cccc2c(C)cc(SCCC(O)=O)nc12
Show InChI InChI=1S/C14H15NO2S/c1-9-4-3-5-11-10(2)8-12(15-14(9)11)18-7-6-13(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)
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n/an/a 4.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM41000
PNG
((2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid ...)
Show SMILES CCOC(=O)CSc1nc(nc2ccccc12)C(C)C
Show InChI InChI=1S/C15H18N2O2S/c1-4-19-13(18)9-20-15-11-7-5-6-8-12(11)16-14(17-15)10(2)3/h5-8,10H,4,9H2,1-3H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM41001
PNG
(2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-(5-methy...)
Show SMILES CC(C)c1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
Show InChI InChI=1S/C17H18N4O2S/c1-10(2)16-18-13-7-5-4-6-12(13)17(20-16)24-9-15(22)19-14-8-11(3)23-21-14/h4-8,10H,9H2,1-3H3,(H,19,21,22)
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n/an/a 936n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM54184
PNG
(6,8-bis(bromanyl)-2-methyl-quinolin-3-ol | 6,8-dib...)
Show SMILES Cc1nc2c(Br)cc(Br)cc2cc1O
Show InChI InChI=1S/C10H7Br2NO/c1-5-9(14)3-6-2-7(11)4-8(12)10(6)13-5/h2-4,14H,1H3
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n/an/a 1.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114313
PNG
((4Z)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methyle...)
Show SMILES CCCCOc1ccc(C(=O)C2C(N(Cc3cccnc3)C(=O)C2=O)c2ccncc2)c(C)c1
Show InChI InChI=1S/C27H27N3O4/c1-3-4-14-34-21-7-8-22(18(2)15-21)25(31)23-24(20-9-12-28-13-10-20)30(27(33)26(23)32)17-19-6-5-11-29-16-19/h5-13,15-16,23-24H,3-4,14,17H2,1-2H3
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n/an/a 4.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114314
PNG
(6,8-bis(bromanyl)-3-methoxy-2-methyl-quinoline | 6...)
Show SMILES COc1cc2cc(Br)cc(Br)c2nc1C
Show InChI InChI=1S/C11H9Br2NO/c1-6-10(15-2)4-7-3-8(12)5-9(13)11(7)14-6/h3-5H,1-2H3
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n/an/a 4.51E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM48470
PNG
(2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]b...)
Show SMILES CCC(Sc1ncnc2sc(C)c(C)c12)C(=O)OC
Show InChI InChI=1S/C13H16N2O2S2/c1-5-9(13(16)17-4)19-12-10-7(2)8(3)18-11(10)14-6-15-12/h6,9H,5H2,1-4H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114315
PNG
(5-bromanyl-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothi...)
Show SMILES COc1cccc2s\c(=N/C(=O)c3ccc(Br)s3)n(CC#C)c12
Show InChI InChI=1S/C16H11BrN2O2S2/c1-3-9-19-14-10(21-2)5-4-6-11(14)23-16(19)18-15(20)12-7-8-13(17)22-12/h1,4-8H,9H2,2H3/b18-16-
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n/an/a 2.60E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens)
BDBM114316
PNG
((2E,10E)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11....)
Show SMILES CC1CCC\C=C\C2CC(O)CC2C(O)\C=C\C(=O)O1
Show InChI InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+
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n/an/a 3.43E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
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