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PubChem AID 463182

Compile data set for download or QSAR
Found 10 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
Furin


(Homo sapiens (Human))		BDBM29692
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thi...)
Show SMILES CCN1CCS\C1=C/C=C/C1=[N+](CC)CCS1 |c:11|
Show InChI InChI=1S/C13H21N2S2/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13/h5-7H,3-4,8-11H2,1-2H3/q+1
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))		BDBM29692
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thi...)
Show SMILES CCN1CCS\C1=C/C=C/C1=[N+](CC)CCS1 |c:11|
Show InChI InChI=1S/C13H21N2S2/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13/h5-7H,3-4,8-11H2,1-2H3/q+1
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n/an/a 3.38E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))		BDBM75778
PNG
((4-Dimethylamino-phenyl)-[(4-dimethylamino-phenyl)...)
Show SMILES CCCOP(=O)(C(Nc1ccccc1)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H34N3O2P/c1-6-20-31-32(30,25-18-16-24(17-19-25)29(4)5)26(27-22-10-8-7-9-11-22)21-12-14-23(15-13-21)28(2)3/h7-19,26-27H,6,20H2,1-5H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))		BDBM75780
PNG
(5,5-Dimethyl-2-[(6-methyl-pyridin-2-ylamino)-methy...)
Show SMILES [#6]-c1cccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)n1
Show InChI InChI=1S/C15H18N2O2/c1-10-5-4-6-14(17-10)16-9-11-12(18)7-15(2,3)8-13(11)19/h4-6,9H,7-8H2,1-3H3,(H,16,17)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))		BDBM71871
PNG
(5,5-dimethyl-2-[(3-pyridinylamino)methylidene]cycl...)
Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cccnc2)-[#6](=O)-[#6]1
Show InChI InChI=1S/C14H16N2O2/c1-14(2)6-12(17)11(13(18)7-14)9-16-10-4-3-5-15-8-10/h3-5,8-9,16H,6-7H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))		BDBM74846
PNG
((5Z)-1-(3-methylphenyl)-5-[(E)-3-phenylazanylprop-...)
Show SMILES Cc1cccc(c1)-n1c(O)c(C=CC=Nc2ccccc2)c(=O)[nH]c1=O |w:14.15,11.11|
Show InChI InChI=1S/C20H17N3O3/c1-14-7-5-10-16(13-14)23-19(25)17(18(24)22-20(23)26)11-6-12-21-15-8-3-2-4-9-15/h2-13,25H,1H3,(H,22,24,26)/b11-6+,21-12+
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))		BDBM66635
PNG
(MLS000737122 | SMR000528383 | [4-[(2Z)-2-(4-amino-...)
Show SMILES CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1 |w:8.8|
Show InChI InChI=1S/C11H12AsN5O4S/c1-22-11-14-9(13)8(10(18)15-11)17-16-7-4-2-6(3-5-7)12(19,20)21/h2-5H,1H3,(H2,19,20,21)(H3,13,14,15,18)/b17-16+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))		BDBM75777
PNG
(2-[[(4-ketoquinazolin-3-yl)amino]methylene]-5,5-di...)
Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-n2cnc3ccccc3c2=O)-[#6](=O)-[#6]1
Show InChI InChI=1S/C17H17N3O3/c1-17(2)7-14(21)12(15(22)8-17)9-19-20-10-18-13-6-4-3-5-11(13)16(20)23/h3-6,9-10,19H,7-8H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))		BDBM67896
PNG
((5E)-5-(3-methylbenzylidene)-2-[N'-(1,7,7-trimethy...)
Show SMILES [H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1cccc(C)c1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:24:3.2|
Show InChI InChI=1S/C21H25N3OS/c1-13-6-5-7-14(10-13)11-16-18(25)22-19(26-16)24-23-17-12-15-8-9-21(17,4)20(15,2)3/h5-7,10-11,15H,8-9,12H2,1-4H3,(H,22,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))		BDBM60407
PNG
((5Z)-5-[[4-(dimethylamino)anilino]methylene]-1-(o-...)
Show SMILES CN(C)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O |w:9.9,(3.08,3.47,;4.41,4.24,;4.41,5.78,;5.75,3.47,;7.08,4.24,;8.41,3.47,;8.41,1.93,;7.08,1.16,;5.75,1.93,;9.75,1.16,;11.08,1.93,;12.42,1.16,;12.42,-.39,;11.08,-1.16,;13.75,-1.16,;13.75,-2.7,;15.08,-3.47,;15.08,-5.01,;13.75,-5.78,;12.42,-5.01,;12.42,-3.47,;11.08,-2.7,;15.08,-.39,;16.42,-1.16,;15.08,1.16,;13.75,1.93,;13.75,3.47,)|
Show InChI InChI=1S/C20H20N4O3/c1-13-6-4-5-7-17(13)24-19(26)16(18(25)22-20(24)27)12-21-14-8-10-15(11-9-14)23(2)3/h4-12,26H,1-3H3,(H,22,25,27)/b21-12+
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens] Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designati...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H993NJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%