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PubChem AID 743453

Compile Data Set for Download or QSAR

Found 242 hits of Enzyme Inhibition Constant Data   
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
Major prion protein


(Homo sapiens (Human))		BDBM47242
PNG
(4-bromanyl-2-methyl-7,8,9,10-tetrahydro-6H-cyclohe...)
Show SMILES Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
Show InChI InChI=1S/C16H16BrNO2/c1-9-7-11-14(16(19)20)10-5-3-2-4-6-13(10)18-15(11)12(17)8-9/h7-8H,2-6H2,1H3,(H,19,20)
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n/an/a 141n/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
Major prion protein


(Homo sapiens (Human))		BDBM95259
PNG
(3,4-dimethyl-2-(4-methylphenyl)-2,6-dihydro-7H-pyr...)
Show SMILES Cc1n(nc2c1c(C)n[nH]c2=S)-c1ccc(C)cc1
Show InChI InChI=1S/C14H14N4S/c1-8-4-6-11(7-5-8)18-10(3)12-9(2)15-16-14(19)13(12)17-18/h4-7H,1-3H3,(H,16,19)
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n/an/a 143n/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
Major prion protein


(Homo sapiens (Human))		BDBM114355
PNG
(2-(4-ethoxyphenyl)-3,4-dimethyl-2,6-dihydro-7H-pyr...)
Show SMILES CCOc1ccc(cc1)-n1nc2c(c1C)c(C)n[nH]c2=S
Show InChI InChI=1S/C15H16N4OS/c1-4-20-12-7-5-11(6-8-12)19-10(3)13-9(2)16-17-15(21)14(13)18-19/h5-8H,4H2,1-3H3,(H,17,21)
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n/an/a 321n/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
Major prion protein


(Homo sapiens (Human))		BDBM95288
PNG
(6-fluoranyl-3-[(2-methoxyphenyl)methyl]-2-sulfanyl...)
Show SMILES COc1ccccc1Cn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C16H13FN2O2S/c1-21-14-5-3-2-4-10(14)9-19-15(20)12-8-11(17)6-7-13(12)18-16(19)22/h2-8H,9H2,1H3,(H,18,22)
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n/an/a 412n/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
Major prion protein


(Homo sapiens (Human))		BDBM114360
PNG
(2-methoxy-5-[[4-(4-oxidanylidenecyclohexa-2,5-dien...)
Show SMILES COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1C(N)=O
Show InChI InChI=1S/C22H18N4O3/c1-29-19-11-8-14(12-18(19)21(23)28)24-22-17-5-3-2-4-16(17)20(25-26-22)13-6-9-15(27)10-7-13/h2-12,27H,1H3,(H2,23,28)(H,24,26)
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n/an/a 759n/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
Major prion protein


(Homo sapiens (Human))		BDBM47306
PNG
(2-[(5-cyano-4-oxidanylidene-6-thiophen-2-yl-1H-pyr...)
Show SMILES CNC(=O)NC(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C13H11N5O3S2/c1-15-12(21)16-9(19)6-23-13-17-10(8-3-2-4-22-8)7(5-14)11(20)18-13/h2-4H,6H2,1H3,(H,17,18,20)(H2,15,16,19,21)
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n/an/a 876n/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
Major prion protein


(Homo sapiens (Human))		BDBM114329
PNG
(Cyclohexanecarboxylic acid N'-[2-(2-propyl-qui...)
Show SMILES CCCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C20H26N4O2S/c1-2-8-17-21-16-12-7-6-11-15(16)20(22-17)27-13-18(25)23-24-19(26)14-9-4-3-5-10-14/h6-7,11-12,14H,2-5,8-10,13H2,1H3,(H,23,25)(H,24,26)
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n/an/a 896n/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
Major prion protein


(Homo sapiens (Human))		BDBM114392
PNG
(2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfany...)
Show SMILES Cc1sc2ncnc(Sc3ccccc3C(O)=O)c2c1C
Show InChI InChI=1S/C15H12N2O2S2/c1-8-9(2)20-13-12(8)14(17-7-16-13)21-11-6-4-3-5-10(11)15(18)19/h3-7H,1-2H3,(H,18,19)
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n/an/a 908n/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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		BDBM47311
PNG
(2-[(4-chlorobenzyl)sulfanyl]-6-oxo-4-(2-thienyl)-1...)
Show SMILES Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C16H10ClN3OS2/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 1.05E+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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		BDBM114431
PNG
(5-[[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amin...)
Show SMILES COC(=O)c1sc(NC(=S)NNC(=O)c2c(Br)c(C)nn2C)c(C(=O)OC)c1C
Show InChI InChI=1S/C16H18BrN5O5S2/c1-6-8(14(24)26-4)13(29-11(6)15(25)27-5)18-16(28)20-19-12(23)10-9(17)7(2)21-22(10)3/h1-5H3,(H,19,23)(H2,18,20,28)
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n/an/a 1.16E+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
Major prion protein


(Homo sapiens (Human))		BDBM41064
PNG
(Cyclohexanecarboxylic acid N'-[2-(2-ethyl-quin...)
Show SMILES CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C19H24N4O2S/c1-2-16-20-15-11-7-6-10-14(15)19(21-16)26-12-17(24)22-23-18(25)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,22,24)(H,23,25)
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n/an/a 1.18E+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
Major prion protein


(Homo sapiens (Human))		BDBM114417
PNG
(6-bromanyl-2-(5-ethylthiophen-2-yl)-3-methyl-quino...)
Show SMILES CCc1ccc(s1)-c1nc2ccc(Br)cc2c(C(O)=O)c1C
Show InChI InChI=1S/C17H14BrNO2S/c1-3-11-5-7-14(22-11)16-9(2)15(17(20)21)12-8-10(18)4-6-13(12)19-16/h4-8H,3H2,1-2H3,(H,20,21)
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n/an/a 1.25E+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
Major prion protein


(Homo sapiens (Human))		BDBM114379
PNG
(2-[(2-phenyl-4-quinazolinyl)thio]acetic acid methy...)
Show SMILES COC(=O)CSc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-15(20)11-22-17-13-9-5-6-10-14(13)18-16(19-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3
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n/an/a 1.31E+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
Major prion protein


(Homo sapiens (Human))		BDBM114425
PNG
(4-Methyl-benzoic acid N'-[2-(2-ethyl-quinazoli...)
Show SMILES CCc1nc(SCC(=O)NNC(=O)c2ccc(C)cc2)c2ccccc2n1
Show InChI InChI=1S/C20H20N4O2S/c1-3-17-21-16-7-5-4-6-15(16)20(22-17)27-12-18(25)23-24-19(26)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,23,25)(H,24,26)
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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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		BDBM114443
PNG
(2-(1-bromanylnaphthalen-2-yl)oxy-N-(5-methyl-1,2-o...)
Show SMILES Cc1cc(NC(=O)COc2ccc3ccccc3c2Br)no1
Show InChI InChI=1S/C16H13BrN2O3/c1-10-8-14(19-22-10)18-15(20)9-21-13-7-6-11-4-2-3-5-12(11)16(13)17/h2-8H,9H2,1H3,(H,18,19,20)
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n/an/a 1.39E+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
Major prion protein


(Homo sapiens (Human))		BDBM66192
PNG
(6-bromanyl-2-thiophen-2-yl-quinoline-4-carboxylic ...)
Show SMILES OC(=O)c1cc(nc2ccc(Br)cc12)-c1cccs1
Show InChI InChI=1S/C14H8BrNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
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n/an/a 1.41E+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
Major prion protein


(Homo sapiens (Human))		BDBM78382
PNG
(6-bromo-5-hydroxy-2-phenyl-3-benzofurancarboxylic ...)
Show SMILES CCOC(=O)c1c(oc2cc(Br)c(O)cc12)-c1ccccc1
Show InChI InChI=1S/C17H13BrO4/c1-2-21-17(20)15-11-8-13(19)12(18)9-14(11)22-16(15)10-6-4-3-5-7-10/h3-9,19H,2H2,1H3
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n/an/a 1.44E+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
Major prion protein


(Homo sapiens (Human))		BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
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n/an/a 1.50E+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
Major prion protein


(Homo sapiens (Human))		BDBM114381
PNG
(4-methoxy-N'-[1-oxo-2-[(2-propyl-4-quinazolinyl)th...)
Show SMILES CCCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1
Show InChI InChI=1S/C21H22N4O3S/c1-3-6-18-22-17-8-5-4-7-16(17)21(23-18)29-13-19(26)24-25-20(27)14-9-11-15(28-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 1.52E+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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		BDBM114447
PNG
(2-(5-bromanylnaphthalen-1-yl)carbonylbenzoic acid ...)
Show SMILES OC(=O)c1ccccc1C(=O)c1cccc2c(Br)cccc12
Show InChI InChI=1S/C18H11BrO3/c19-16-10-4-7-11-12(16)8-3-9-13(11)17(20)14-5-1-2-6-15(14)18(21)22/h1-10H,(H,21,22)
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n/an/a 1.57E+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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		BDBM53214
PNG
(2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-...)
Show SMILES S=c1[nH]nc2n1c1ccccc1[nH]c2=S
Show InChI InChI=1S/C9H6N4S2/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
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n/an/a 1.70E+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
Major prion protein


(Homo sapiens (Human))		BDBM114440
PNG
(MLS002165637 | N-(5-methyl-1,2-oxazol-3-yl)-2-(2-t...)
Show SMILES CC(Sc1nc(nc2ccccc12)-c1cccs1)C(=O)Nc1cc(C)on1
Show InChI InChI=1S/C19H16N4O2S2/c1-11-10-16(23-25-11)21-18(24)12(2)27-19-13-6-3-4-7-14(13)20-17(22-19)15-8-5-9-26-15/h3-10,12H,1-2H3,(H,21,23,24)
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n/an/a 1.70E+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
Major prion protein


(Homo sapiens (Human))		BDBM114361
PNG
(MLS000677348 | N'-[2-(2-ethylquinazolin-4-yl)sulfa...)
Show SMILES CCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1
Show InChI InChI=1S/C20H20N4O3S/c1-3-17-21-16-7-5-4-6-15(16)20(22-17)28-12-18(25)23-24-19(26)13-8-10-14(27-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,23,25)(H,24,26)
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n/an/a 1.72E+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
Major prion protein


(Homo sapiens (Human))		BDBM114330
PNG
((2-Phenyl-quinazolin-4-ylsulfanyl)-acetic acid eth...)
Show SMILES CCOC(=O)CSc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C18H16N2O2S/c1-2-22-16(21)12-23-18-14-10-6-7-11-15(14)19-17(20-18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
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n/an/a 1.73E+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
Major prion protein


(Homo sapiens (Human))		BDBM41062
PNG
(2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-(5-methy...)
Show SMILES CC(C)c1nc(SCC(=O)Nc2nnc(C)s2)c2ccccc2n1
Show InChI InChI=1S/C16H17N5OS2/c1-9(2)14-17-12-7-5-4-6-11(12)15(19-14)23-8-13(22)18-16-21-20-10(3)24-16/h4-7,9H,8H2,1-3H3,(H,18,21,22)
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n/an/a 1.83E+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
Major prion protein


(Homo sapiens (Human))		BDBM114384
PNG
(2-[(2-phenyl-4-quinazolinyl)thio]propanoic acid et...)
Show SMILES CCOC(=O)C(C)Sc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H18N2O2S/c1-3-23-19(22)13(2)24-18-15-11-7-8-12-16(15)20-17(21-18)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3
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n/an/a 1.84E+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
Major prion protein


(Homo sapiens (Human))		BDBM114331
PNG
(2-(2-Ethyl-quinazolin-4-ylsulfanyl)-1-phenothiazin...)
Show SMILES CCc1nc(SCC(=O)N2c3ccccc3Sc3ccccc23)c2ccccc2n1
Show InChI InChI=1S/C24H19N3OS2/c1-2-22-25-17-10-4-3-9-16(17)24(26-22)29-15-23(28)27-18-11-5-7-13-20(18)30-21-14-8-6-12-19(21)27/h3-14H,2,15H2,1H3
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n/an/a 1.84E+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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		BDBM114319
PNG
(MLS000555430 | SMR000147147 | Sodium; 2-(quinolin-...)
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)/p-1
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n/an/a 1.88E+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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		BDBM66190
PNG
(2-amino-6-(dicyanomethylene)-4-phenyl-1H-pyridine-...)
Show SMILES Nc1nc(C(C#N)C#N)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C16H8N6/c17-6-11(7-18)15-12(8-19)14(10-4-2-1-3-5-10)13(9-20)16(21)22-15/h1-5,11H,(H2,21,22)
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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
Major prion protein


(Homo sapiens (Human))		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
Major prion protein


(Homo sapiens (Human))		BDBM114322
PNG
(3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulf...)
Show SMILES Cc1sc2nc(C)nc(SC3CCOC3=O)c2c1C
Show InChI InChI=1S/C13H14N2O2S2/c1-6-7(2)18-11-10(6)12(15-8(3)14-11)19-9-4-5-17-13(9)16/h9H,4-5H2,1-3H3
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n/an/a 1.93E+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
Major prion protein


(Homo sapiens (Human))		BDBM114332
PNG
(Isobutyric acid N'-[2-(2-ethyl-quinazolin-4-yl...)
Show SMILES CCc1nc(SCC(=O)NNC(=O)C(C)C)c2ccccc2n1
Show InChI InChI=1S/C16H20N4O2S/c1-4-13-17-12-8-6-5-7-11(12)16(18-13)23-9-14(21)19-20-15(22)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,19,21)(H,20,22)
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n/an/a 1.93E+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
Major prion protein


(Homo sapiens (Human))		BDBM114333
PNG
((6-Fluoro-2-phenyl-quinazolin-4-ylsulfanyl)-acetic...)
Show SMILES CCOC(=O)CSc1nc(nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C18H15FN2O2S/c1-2-23-16(22)11-24-18-14-10-13(19)8-9-15(14)20-17(21-18)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
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n/an/a 1.97E+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
Major prion protein


(Homo sapiens (Human))		BDBM114429
PNG
(4-Methoxy-benzoic acid N'-[2-(2-isopropyl-quin...)
Show SMILES COc1ccc(cc1)C(=O)NNC(=O)CSc1nc(nc2ccccc12)C(C)C
Show InChI InChI=1S/C21H22N4O3S/c1-13(2)19-22-17-7-5-4-6-16(17)21(23-19)29-12-18(26)24-25-20(27)14-8-10-15(28-3)11-9-14/h4-11,13H,12H2,1-3H3,(H,24,26)(H,25,27)
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n/an/a 1.98E+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
Major prion protein


(Homo sapiens (Human))		BDBM114430
PNG
(2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-(4-methy...)
Show SMILES CC(C)c1nc(SCC(=O)Nc2nc(C)cs2)c2ccccc2n1
Show InChI InChI=1S/C17H18N4OS2/c1-10(2)15-19-13-7-5-4-6-12(13)16(21-15)23-9-14(22)20-17-18-11(3)8-24-17/h4-8,10H,9H2,1-3H3,(H,18,20,22)
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n/an/a 2.05E+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
Major prion protein


(Homo sapiens (Human))		BDBM114416
PNG
(3-(1,3-benzodioxol-5-yl)-8-[(dimethylamino)methyl]...)
Show SMILES CCc1cc2c(occ(-c3ccc4OCOc4c3)c2=O)c(CN(C)C)c1O
Show InChI InChI=1S/C21H21NO5/c1-4-12-7-14-20(24)16(13-5-6-17-18(8-13)27-11-26-17)10-25-21(14)15(19(12)23)9-22(2)3/h5-8,10,23H,4,9,11H2,1-3H3
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n/an/a 2.07E+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
Major prion protein


(Homo sapiens (Human))		BDBM114399
PNG
(4'-(1-benzofuran-2-carbonyl)-1-ethyl-3'-hydroxy-1'...)
Show SMILES CCN1C(=O)C2(C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C29H29N3O6/c1-2-31-21-10-5-4-9-20(21)29(28(31)36)24(25(33)23-18-19-8-3-6-11-22(19)38-23)26(34)27(35)32(29)13-7-12-30-14-16-37-17-15-30/h3-6,8-11,18,24H,2,7,12-17H2,1H3
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n/an/a 2.08E+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
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* indicates data uncertainty>20%